3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide

C19H23N3O3 — CID 168974018

IUPAC3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)CCc1ccc(O)cc1
InChIInChI=1S/C19H23N3O3/c1-12-3-8-15(18(20)24)11-17(12)22-19(25)21-13(2)4-5-14-6-9-16(23)10-7-14/h3,6-11,13,23H,4-5H2,1-2H3,(H2,20,24)(H2,21,22,25)/t13-/m0/s1
InChIKeyLEZJBCNEBRLITM-ZDUSSCGKSA-N
MW341.41 g/mol
LogP2.94
Rot. Bonds6

About 3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide

3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide (PubChem CID 168974018) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide.

Molecular Properties

Compound Name3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide
PubChem CID168974018
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)CCc1ccc(O)cc1
InChIInChI=1S/C19H23N3O3/c1-12-3-8-15(18(20)24)11-17(12)22-19(25)21-13(2)4-5-14-6-9-16(23)10-7-14/h3,6-11,13,23H,4-5H2,1-2H3,(H2,20,24)(H2,21,22,25)/t13-/m0/s1
InChIKeyLEZJBCNEBRLITM-ZDUSSCGKSA-N
XLogP2.94
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide
CID 43202886
1-(5-acetyl-2-methylphenyl)-3-butan-2-ylurea
CID 110612625
1-[(2,5-dimethylphenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 168974029
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
CID 47041438
1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 168974121
2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132885
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111438069
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111103971
N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide
CID 55698400

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide?
The IUPAC name of 3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide (CID 168974018) is 3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide.
What is the SMILES notation for 3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide?
The canonical SMILES for 3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide is Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)CCc1ccc(O)cc1.
What is the InChIKey of 3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide?
The InChIKey is LEZJBCNEBRLITM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-3-8-15(18(20)24)11-17(12)22-19(25)21-13(2)4-5-14-6-9-16(23)10-7-14/h3,6-11,13,23H,4-5H2,1-2H3,(H2,20,24)(H2,21,22,25)/t13-/m0/s1.
What are the key properties of 3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide?
3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide is sourced from PubChem (CID 168974018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).