2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea

C26H58N4O3 — CID 159378682

IUPAC2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea
SMILESC.CC(C)CC(=O)NC(C)C.CC(C)CNC(=O)C(C)(C)C.CC(C)CNC(=O)NC(C)C
InChIInChI=1S/C9H19NO.C8H18N2O.C8H17NO.CH4/c1-7(2)6-10-8(11)9(3,4)5;1-6(2)5-9-8(11)10-7(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);1H4
InChIKeyLKQDTVXTBXFNJO-UHFFFAOYSA-N
MW474.78 g/mol
LogP5.35
Rot. Bonds8

About 2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea

2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea (PubChem CID 159378682) has the molecular formula C26H58N4O3 and a molecular weight of 474.78 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea
PubChem CID159378682
Molecular FormulaC26H58N4O3
Molecular Weight474.78 g/mol
Exact Mass474.45
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea
SMILESC.CC(C)CC(=O)NC(C)C.CC(C)CNC(=O)C(C)(C)C.CC(C)CNC(=O)NC(C)C
InChIInChI=1S/C9H19NO.C8H18N2O.C8H17NO.CH4/c1-7(2)6-10-8(11)9(3,4)5;1-6(2)5-9-8(11)10-7(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);1H4
InChIKeyLKQDTVXTBXFNJO-UHFFFAOYSA-N
XLogP5.35
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 55.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
2,7-dimethyloctan-4-one;3-methyl-N-propan-2-ylbutanamide;2,2,6-trimethylheptan-3-one
CID 158719628
3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 167420735
3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 64702187
1-(2,2-difluoroethyl)-3-propan-2-ylurea
CID 87414397
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide
CID 116657699
2,7-dimethyloctan-4-one;methane;3-methyl-N-(2-methylpropyl)butanamide
CID 158240408
2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide
CID 166979510
1-(2-amino-2-methylpropyl)-3-propan-2-ylurea
CID 115303393
1-(2-ethylbutyl)-3-propan-2-ylurea
CID 84528098

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea (CID 159378682) is 2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea is C.CC(C)CC(=O)NC(C)C.CC(C)CNC(=O)C(C)(C)C.CC(C)CNC(=O)NC(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea?
The InChIKey is LKQDTVXTBXFNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H18N2O.C8H17NO.CH4/c1-7(2)6-10-8(11)9(3,4)5;1-6(2)5-9-8(11)10-7(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);1H4.
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea?
2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea has a molecular weight of 474.78 g/mol, XLogP of 5.35, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)propanamide;methane;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea is sourced from PubChem (CID 159378682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).