(2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide

C18H27N3O2 — CID 166276680

IUPAC(2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
SMILESCNC(=O)Cc1cccc(NC(=O)[C@@H](N)CC2CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-20-17(22)12-14-8-5-9-15(10-14)21-18(23)16(19)11-13-6-3-2-4-7-13/h5,8-10,13,16H,2-4,6-7,11-12,19H2,1H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyLRVQETAOJCALBM-INIZCTEOSA-N
MW317.43 g/mol
LogP2.21
Rot. Bonds6

About (2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide

(2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide (PubChem CID 166276680) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
PubChem CID166276680
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
SMILESCNC(=O)Cc1cccc(NC(=O)[C@@H](N)CC2CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-20-17(22)12-14-8-5-9-15(10-14)21-18(23)16(19)11-13-6-3-2-4-7-13/h5,8-10,13,16H,2-4,6-7,11-12,19H2,1H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyLRVQETAOJCALBM-INIZCTEOSA-N
XLogP2.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 114264767
3-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-N,4-dimethylbenzamide
CID 146143095
2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide
CID 166410090
propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate
CID 54406188
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808
2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
(2S)-2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119329256
2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 59367067
(2S)-2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]propanamide;hydrochloride
CID 119329248
2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide
CID 112735210
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957019
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide (CID 166276680) is (2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide is CNC(=O)Cc1cccc(NC(=O)[C@@H](N)CC2CCCCC2)c1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The InChIKey is LRVQETAOJCALBM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20-17(22)12-14-8-5-9-15(10-14)21-18(23)16(19)11-13-6-3-2-4-7-13/h5,8-10,13,16H,2-4,6-7,11-12,19H2,1H3,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
(2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 166276680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).