(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide

C18H29N3O2 — CID 69195150

IUPAC(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide
SMILESC[C@@H](CNc1ccc(O)cc1)NC(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-13(12-20-15-7-9-16(22)10-8-15)21-18(23)17(19)11-14-5-3-2-4-6-14/h7-10,13-14,17,20,22H,2-6,11-12,19H2,1H3,(H,21,23)/t13-,17-/m0/s1
InChIKeyUYIZTWSUGYDZGS-GUYCJALGSA-N
MW319.45 g/mol
LogP2.61
Rot. Bonds7

About (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide

(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide (PubChem CID 69195150) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide
PubChem CID69195150
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide
SMILESC[C@@H](CNc1ccc(O)cc1)NC(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-13(12-20-15-7-9-16(22)10-8-15)21-18(23)17(19)11-14-5-3-2-4-6-14/h7-10,13-14,17,20,22H,2-6,11-12,19H2,1H3,(H,21,23)/t13-,17-/m0/s1
InChIKeyUYIZTWSUGYDZGS-GUYCJALGSA-N
XLogP2.61
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 175252899
(2R)-2-amino-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-cyclopropylpropanamide
CID 155214747
4-(cyclooctylmethylamino)phenol
CID 53404225
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
(2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide
CID 11080507
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
CID 104871348
(2S)-2-amino-N-[(2S)-1-[4-(difluoromethoxy)anilino]propan-2-yl]-4,4-dimethylpentanamide
CID 69195604
N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(4-hydroxyanilino)-4-sulfanylbutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 89041309
2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxo-N-[1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide
CID 44566073
2-amino-3-cyclobutyl-N'-methylpropanehydrazide
CID 116849612
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
[(3S)-oxolan-3-yl] N-[(2S)-3-cyclopentyl-1-oxo-1-[1-[4-(trifluoromethoxy)anilino]propan-2-ylamino]propan-2-yl]carbamate
CID 90832619

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide (CID 69195150) is (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide is C[C@@H](CNc1ccc(O)cc1)NC(=O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide?
The InChIKey is UYIZTWSUGYDZGS-GUYCJALGSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(12-20-15-7-9-16(22)10-8-15)21-18(23)17(19)11-14-5-3-2-4-6-14/h7-10,13-14,17,20,22H,2-6,11-12,19H2,1H3,(H,21,23)/t13-,17-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide?
(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.61, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide is sourced from PubChem (CID 69195150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).