4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide

C20H23N3O3 — CID 52506460

IUPAC4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](O)CNC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-13-2-4-14(5-3-13)18(24)12-21-19(25)15-6-8-16(9-7-15)22-20(26)23-17-10-11-17/h2-9,17-18,24H,10-12H2,1H3,(H,21,25)(H2,22,23,26)/t18-/m1/s1
InChIKeyLJHKRUBIIAXZDW-GOSISDBHSA-N
MW353.42 g/mol
LogP2.74
Rot. Bonds6

About 4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide

4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide (PubChem CID 52506460) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
PubChem CID52506460
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](O)CNC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-13-2-4-14(5-3-13)18(24)12-21-19(25)15-6-8-16(9-7-15)22-20(26)23-17-10-11-17/h2-9,17-18,24H,10-12H2,1H3,(H,21,25)(H2,22,23,26)/t18-/m1/s1
InChIKeyLJHKRUBIIAXZDW-GOSISDBHSA-N
XLogP2.74
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 39314332
4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55677877
1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 38283937
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 55678292
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 138023195
4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide
CID 47056970
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide
CID 86981673
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide (CID 52506460) is 4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide is Cc1ccc([C@H](O)CNC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The InChIKey is LJHKRUBIIAXZDW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-2-4-14(5-3-13)18(24)12-21-19(25)15-6-8-16(9-7-15)22-20(26)23-17-10-11-17/h2-9,17-18,24H,10-12H2,1H3,(H,21,25)(H2,22,23,26)/t18-/m1/s1.
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 52506460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).