2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

C18H35N3O4 — CID 139295027

IUPAC2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)COC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C18H35N3O4/c1-15(2,3)11-25-14(24)21-18(9,10)13(23)20-17(7,8)12(22)19-16(4,5)6/h11H2,1-10H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyPFTRBYWANJNJSG-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.35
Rot. Bonds5

About 2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 139295027) has the molecular formula C18H35N3O4 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID139295027
Molecular FormulaC18H35N3O4
Molecular Weight357.50 g/mol
Exact Mass357.26
IUPAC Name2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)COC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C18H35N3O4/c1-15(2,3)11-25-14(24)21-18(9,10)13(23)20-17(7,8)12(22)19-16(4,5)6/h11H2,1-10H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyPFTRBYWANJNJSG-UHFFFAOYSA-N
XLogP2.35
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate
CID 158591435
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2,2-dimethylpropoxycarbonylcarbamic acid
CID 141398884
2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
CID 71672217
(2-amino-2-cyanopropyl) N-tert-butylcarbamate
CID 177248875
2,2-dimethylpropyl acetate
CID 13552
2,2-dimethylpropyl 2,2-dichloroacetate
CID 545775
tert-butyl 2-methyl-2-[[2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 5256418
2,2-dimethylpropyl carboniodidate
CID 71320370
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
2-(2-amino-2-methylpropoxy)-N-tert-butylacetamide
CID 64537989

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 139295027) is 2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is CC(C)(C)COC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is PFTRBYWANJNJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O4/c1-15(2,3)11-25-14(24)21-18(9,10)13(23)20-17(7,8)12(22)19-16(4,5)6/h11H2,1-10H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of 2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 357.50 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 139295027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).