(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide

C17H27N3O2 — CID 8992288

IUPAC(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCCc1ccc([C@@H](N[C@H](C)C(=O)NC(=O)NC)C(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-6-13-7-9-14(10-8-13)15(11(2)3)19-12(4)16(21)20-17(22)18-5/h7-12,15,19H,6H2,1-5H3,(H2,18,20,21,22)/t12-,15+/m1/s1
InChIKeyKOYRWHSUFQKNHT-DOMZBBRYSA-N
MW305.42 g/mol
LogP2.38
Rot. Bonds6

About (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide

(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 8992288) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID8992288
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCCc1ccc([C@@H](N[C@H](C)C(=O)NC(=O)NC)C(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-6-13-7-9-14(10-8-13)15(11(2)3)19-12(4)16(21)20-17(22)18-5/h7-12,15,19H,6H2,1-5H3,(H2,18,20,21,22)/t12-,15+/m1/s1
InChIKeyKOYRWHSUFQKNHT-DOMZBBRYSA-N
XLogP2.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
CID 9129594
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
CID 8992097
(2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide
CID 8970695
2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide
CID 60674323
methyl N-[(2S)-2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate
CID 8998518
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8992451
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8992353
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470
(2S)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-carbamoylpropanamide
CID 9129644

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide (CID 8992288) is (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide is CCc1ccc([C@@H](N[C@H](C)C(=O)NC(=O)NC)C(C)C)cc1.
What is the InChIKey of (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is KOYRWHSUFQKNHT-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-13-7-9-14(10-8-13)15(11(2)3)19-12(4)16(21)20-17(22)18-5/h7-12,15,19H,6H2,1-5H3,(H2,18,20,21,22)/t12-,15+/m1/s1.
What are the key properties of (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide?
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 8992288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).