(2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide

C18H29N3O2 — CID 41260508

IUPAC(2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide
SMILESCCC(CC)NC(=O)N(CC)[C@H](C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H29N3O2/c1-6-15(7-2)20-18(23)21(8-3)14(5)17(22)19-16-11-9-13(4)10-12-16/h9-12,14-15H,6-8H2,1-5H3,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyBGYKAUREOXJEGW-CQSZACIVSA-N
MW319.45 g/mol
LogP3.54
Rot. Bonds7

About (2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide

(2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide (PubChem CID 41260508) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide
PubChem CID41260508
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide
SMILESCCC(CC)NC(=O)N(CC)[C@H](C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H29N3O2/c1-6-15(7-2)20-18(23)21(8-3)14(5)17(22)19-16-11-9-13(4)10-12-16/h9-12,14-15H,6-8H2,1-5H3,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyBGYKAUREOXJEGW-CQSZACIVSA-N
XLogP3.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-N-(4-methylphenyl)propanamide
CID 24843836
(2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide
CID 8786711
(2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide
CID 8786706
N,2-bis(4-methylphenyl)butanamide
CID 2750915
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
1-hexan-3-yl-3-(4-methylphenyl)urea
CID 134360432
2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326707
(2S)-2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide
CID 8786715
ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443102
ethyl-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443104
2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide
CID 60647573
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide (CID 41260508) is (2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide is CCC(CC)NC(=O)N(CC)[C@H](C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide?
The InChIKey is BGYKAUREOXJEGW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-15(7-2)20-18(23)21(8-3)14(5)17(22)19-16-11-9-13(4)10-12-16/h9-12,14-15H,6-8H2,1-5H3,(H,19,22)(H,20,23)/t14-/m1/s1.
What are the key properties of (2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide?
(2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 41260508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).