(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide

C14H28N2O — CID 93389393

IUPAC(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCC1CCC(CC)CC1
InChIInChI=1S/C14H28N2O/c1-3-5-13(15)14(17)16-10-12-8-6-11(4-2)7-9-12/h11-13H,3-10,15H2,1-2H3,(H,16,17)/t11?,12?,13-/m0/s1
InChIKeyPEWDWJBPCDPXTP-BPCQOVAHSA-N
MW240.39 g/mol
LogP2.45
Rot. Bonds6

About (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide

(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide (PubChem CID 93389393) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
PubChem CID93389393
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCC1CCC(CC)CC1
InChIInChI=1S/C14H28N2O/c1-3-5-13(15)14(17)16-10-12-8-6-11(4-2)7-9-12/h11-13H,3-10,15H2,1-2H3,(H,16,17)/t11?,12?,13-/m0/s1
InChIKeyPEWDWJBPCDPXTP-BPCQOVAHSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 64889744
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride
CID 119854796
4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 80543097
(2S)-2-amino-N-(cyclopropylmethyl)-3-hydroxypropanamide
CID 70262272
2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012
2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 60971476
(2S)-2-amino-N-(2-cyclobutylethyl)pentanamide
CID 107570634
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride
CID 120987252
4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
CID 120561038

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide (CID 93389393) is (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide is CCC[C@H](N)C(=O)NCC1CCC(CC)CC1.
What is the InChIKey of (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide?
The InChIKey is PEWDWJBPCDPXTP-BPCQOVAHSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-5-13(15)14(17)16-10-12-8-6-11(4-2)7-9-12/h11-13H,3-10,15H2,1-2H3,(H,16,17)/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide?
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide is sourced from PubChem (CID 93389393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).