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

C12H24N2O — CID 61149083

IUPAC(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
SMILESCCC1CCC(CNC(=O)[C@H](C)N)CC1
InChIInChI=1S/C12H24N2O/c1-3-10-4-6-11(7-5-10)8-14-12(15)9(2)13/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,10?,11?/m0/s1
InChIKeyNQSIJHWZNLVPNT-WHXUTIOJSA-N
MW212.34 g/mol
LogP1.67
Rot. Bonds4

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

(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide (PubChem CID 61149083) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
PubChem CID61149083
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
SMILESCCC1CCC(CNC(=O)[C@H](C)N)CC1
InChIInChI=1S/C12H24N2O/c1-3-10-4-6-11(7-5-10)8-14-12(15)9(2)13/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,10?,11?/m0/s1
InChIKeyNQSIJHWZNLVPNT-WHXUTIOJSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide
CID 119327659
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 60971476
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393
4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 80543097
(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
CID 119337815
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
[4-[(2-aminopropanoylamino)methyl]cyclohexyl] nitrate
CID 67862459
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]propanamide?
The IUPAC name of (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide (CID 61149083) is (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide is CCC1CCC(CNC(=O)[C@H](C)N)CC1.
What is the InChIKey of (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide?
The InChIKey is NQSIJHWZNLVPNT-WHXUTIOJSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-10-4-6-11(7-5-10)8-14-12(15)9(2)13/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,10?,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide?
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide has a molecular weight of 212.34 g/mol, XLogP of 1.67, 4 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]propanamide is sourced from PubChem (CID 61149083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).