butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate

C18H34N2O3 — CID 67893688

IUPACbutyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate
SMILESCCCCOC(=O)N(C(=O)[C@@H](N)C(C)C)[C@@H](C)C1CCCCC1
InChIInChI=1S/C18H34N2O3/c1-5-6-12-23-18(22)20(17(21)16(19)13(2)3)14(4)15-10-8-7-9-11-15/h13-16H,5-12,19H2,1-4H3/t14-,16-/m0/s1
InChIKeyWTDYSYDSNLJSLW-HOCLYGCPSA-N
MW326.48 g/mol
LogP3.70
Rot. Bonds7

About butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate

butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate (PubChem CID 67893688) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate
PubChem CID67893688
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Namebutyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate
SMILESCCCCOC(=O)N(C(=O)[C@@H](N)C(C)C)[C@@H](C)C1CCCCC1
InChIInChI=1S/C18H34N2O3/c1-5-6-12-23-18(22)20(17(21)16(19)13(2)3)14(4)15-10-8-7-9-11-15/h13-16H,5-12,19H2,1-4H3/t14-,16-/m0/s1
InChIKeyWTDYSYDSNLJSLW-HOCLYGCPSA-N
XLogP3.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate with MolForge

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Related Compounds

[(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate
CID 67719389
octyl 2-amino-2-cyclohexylacetate
CID 63539863
butyl N,N-dicyclohexylcarbamate
CID 13416417
2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate
CID 140516614
propyl 2-amino-2-cyclohexylacetate
CID 61016884
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592
butyl (2R)-2-cyclopentyl-2-hydroxyacetate
CID 177105637
2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
CID 56831854
1-O-butyl 4-O-(1-cyclopentylethyl) butanedioate
CID 91702667
1-O-butyl 3-O-(1-cyclohexylethyl) 2-butylpropanedioate
CID 174872844
(2R)-2-amino-N-cyclopropyl-3-methyl-N-propylbutanamide
CID 79011597
pentyl N-cyclohexyl-N-methylcarbamate
CID 141208819

Frequently Asked Questions

What is the IUPAC name of butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate?
The IUPAC name of butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate (CID 67893688) is butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate.
What is the SMILES notation for butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate?
The canonical SMILES for butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate is CCCCOC(=O)N(C(=O)[C@@H](N)C(C)C)[C@@H](C)C1CCCCC1.
What is the InChIKey of butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate?
The InChIKey is WTDYSYDSNLJSLW-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-5-6-12-23-18(22)20(17(21)16(19)13(2)3)14(4)15-10-8-7-9-11-15/h13-16H,5-12,19H2,1-4H3/t14-,16-/m0/s1.
What are the key properties of butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate?
butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate is sourced from PubChem (CID 67893688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).