methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

C15H28N2O3 — CID 130457120

IUPACmethyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCC1(NC(=O)C(NC(=O)OC)C(C)C)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-5-15(9-7-6-8-10-15)17-13(18)12(11(2)3)16-14(19)20-4/h11-12H,5-10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyNWWHVUIKDSMEDM-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.60
Rot. Bonds5

About methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 130457120) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID130457120
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCC1(NC(=O)C(NC(=O)OC)C(C)C)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-5-15(9-7-6-8-10-15)17-13(18)12(11(2)3)16-14(19)20-4/h11-12H,5-10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyNWWHVUIKDSMEDM-UHFFFAOYSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2S)-1-[[1-[(1-iodoethenylamino)methyl]cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 88964351
methyl N-[(2S)-3-methyl-1-[[1-(2-methylpropanoylamino)cyclopropyl]methylamino]-1-oxobutan-2-yl]carbamate
CID 58185231
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62520054
3-[(1-ethylcyclobutyl)amino]-2-methyl-3-oxopropanoic acid
CID 114899021
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 62520053
methyl N-[(2R)-1-[[(4R)-2,4-dimethylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130457239
2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid
CID 79846205
methyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 88887792
(2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide
CID 104866235
(2S)-2-amino-N-(1-ethylcyclopropyl)propanamide
CID 131186061
methyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]amino]butan-2-yl]carbamate
CID 58185364
methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]acetyl]amino]butanoyl]amino]butanoate
CID 10670824

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 130457120) is methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is CCC1(NC(=O)C(NC(=O)OC)C(C)C)CCCCC1.
What is the InChIKey of methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is NWWHVUIKDSMEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-15(9-7-6-8-10-15)17-13(18)12(11(2)3)16-14(19)20-4/h11-12H,5-10H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 130457120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).