ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate

C14H27N3O3 — CID 44614601

IUPACethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate
SMILESCCOC(=O)N[C@H](NC(=O)NC1CCCCC1)C(C)C
InChIInChI=1S/C14H27N3O3/c1-4-20-14(19)17-12(10(2)3)16-13(18)15-11-8-6-5-7-9-11/h10-12H,4-9H2,1-3H3,(H,17,19)(H2,15,16,18)/t12-/m0/s1
InChIKeyHCRSNJLVSFCJIH-LBPRGKRZSA-N
MW285.39 g/mol
LogP2.35
Rot. Bonds5

About ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate

ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate (PubChem CID 44614601) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate
PubChem CID44614601
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nameethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate
SMILESCCOC(=O)N[C@H](NC(=O)NC1CCCCC1)C(C)C
InChIInChI=1S/C14H27N3O3/c1-4-20-14(19)17-12(10(2)3)16-13(18)15-11-8-6-5-7-9-11/h10-12H,4-9H2,1-3H3,(H,17,19)(H2,15,16,18)/t12-/m0/s1
InChIKeyHCRSNJLVSFCJIH-LBPRGKRZSA-N
XLogP2.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(cyclohexylcarbamoylamino)propanoate
CID 54959999
1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79255042
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
ethyl N-(2-amino-1-cyclooctylethyl)carbamate
CID 114207874
2-(cyclopentylcarbamoylamino)-3-methylbutanamide
CID 104858398
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014
ethyl N-(cyclohexylcarbamothioylamino)carbamate
CID 2743224
ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498920
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide
CID 115585935

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate?
The IUPAC name of ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate (CID 44614601) is ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate.
What is the SMILES notation for ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate?
The canonical SMILES for ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate is CCOC(=O)N[C@H](NC(=O)NC1CCCCC1)C(C)C.
What is the InChIKey of ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate?
The InChIKey is HCRSNJLVSFCJIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-20-14(19)17-12(10(2)3)16-13(18)15-11-8-6-5-7-9-11/h10-12H,4-9H2,1-3H3,(H,17,19)(H2,15,16,18)/t12-/m0/s1.
What are the key properties of ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate?
ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate is sourced from PubChem (CID 44614601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).