N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate

C33H71N5O5 — CID 158132370

IUPACN-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate
SMILESCC(C)C(=O)NCC(C)(C)C.CC(C)CC(=O)NC(C)C.CC(C)CNC(=O)NC(C)C.CC(C)CNC(=O)OC(C)C
InChIInChI=1S/C9H19NO.C8H18N2O.C8H17NO2.C8H17NO/c1-7(2)8(11)10-6-9(3,4)5;1-6(2)5-9-8(11)10-7(3)4;1-6(2)5-9-8(10)11-7(3)4;1-6(2)5-8(10)9-7(3)4/h7H,6H2,1-5H3,(H,10,11);6-7H,5H2,1-4H3,(H2,9,10,11);6-7H,5H2,1-4H3,(H,9,10);6-7H,5H2,1-4H3,(H,9,10)
InChIKeyFSXZFXSFWWUHEH-UHFFFAOYSA-N
MW617.96 g/mol
LogP6.49
Rot. Bonds11

About N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate

N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate (PubChem CID 158132370) has the molecular formula C33H71N5O5 and a molecular weight of 617.96 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate
PubChem CID158132370
Molecular FormulaC33H71N5O5
Molecular Weight617.96 g/mol
Exact Mass617.55
IUPAC NameN-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate
SMILESCC(C)C(=O)NCC(C)(C)C.CC(C)CC(=O)NC(C)C.CC(C)CNC(=O)NC(C)C.CC(C)CNC(=O)OC(C)C
InChIInChI=1S/C9H19NO.C8H18N2O.C8H17NO2.C8H17NO/c1-7(2)8(11)10-6-9(3,4)5;1-6(2)5-9-8(11)10-7(3)4;1-6(2)5-9-8(10)11-7(3)4;1-6(2)5-8(10)9-7(3)4/h7H,6H2,1-5H3,(H,10,11);6-7H,5H2,1-4H3,(H2,9,10,11);6-7H,5H2,1-4H3,(H,9,10);6-7H,5H2,1-4H3,(H,9,10)
InChIKeyFSXZFXSFWWUHEH-UHFFFAOYSA-N
XLogP6.49
TPSA137.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.96
LogP ≤ 56.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
CID 162127345
2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea
CID 159378682
propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate
CID 58472992
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate
CID 66170109
N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide
CID 116657699
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544
1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine
CID 157246155
propan-2-yl N-(2,2-difluoropropyl)carbamate
CID 139305684
tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate
CID 21030199
3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 167420735
1-(2-amino-2-methylpropyl)-3-propan-2-ylurea
CID 115303393

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate?
The IUPAC name of N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate (CID 158132370) is N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate is CC(C)C(=O)NCC(C)(C)C.CC(C)CC(=O)NC(C)C.CC(C)CNC(=O)NC(C)C.CC(C)CNC(=O)OC(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate?
The InChIKey is FSXZFXSFWWUHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H18N2O.C8H17NO2.C8H17NO/c1-7(2)8(11)10-6-9(3,4)5;1-6(2)5-9-8(11)10-7(3)4;1-6(2)5-9-8(10)11-7(3)4;1-6(2)5-8(10)9-7(3)4/h7H,6H2,1-5H3,(H,10,11);6-7H,5H2,1-4H3,(H2,9,10,11);6-7H,5H2,1-4H3,(H,9,10);6-7H,5H2,1-4H3,(H,9,10).
What are the key properties of N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate?
N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate has a molecular weight of 617.96 g/mol, XLogP of 6.49, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 158132370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).