N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide

C16H20N2O2 — CID 154871949

IUPACN-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide
SMILESCc1ccc(C(C)(CO)NC(=O)c2cc[nH]c2)cc1C
InChIInChI=1S/C16H20N2O2/c1-11-4-5-14(8-12(11)2)16(3,10-19)18-15(20)13-6-7-17-9-13/h4-9,17,19H,10H2,1-3H3,(H,18,20)
InChIKeyKJKPPGJUZWJWOV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.27
Rot. Bonds4

About N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide

N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide (PubChem CID 154871949) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide
PubChem CID154871949
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide
SMILESCc1ccc(C(C)(CO)NC(=O)c2cc[nH]c2)cc1C
InChIInChI=1S/C16H20N2O2/c1-11-4-5-14(8-12(11)2)16(3,10-19)18-15(20)13-6-7-17-9-13/h4-9,17,19H,10H2,1-3H3,(H,18,20)
InChIKeyKJKPPGJUZWJWOV-UHFFFAOYSA-N
XLogP2.27
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 130650761
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide
CID 154787824
3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 61054133
N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide
CID 110691132
3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782670
2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
CID 61049896
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61047714

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide (CID 154871949) is N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide is Cc1ccc(C(C)(CO)NC(=O)c2cc[nH]c2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is KJKPPGJUZWJWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-4-5-14(8-12(11)2)16(3,10-19)18-15(20)13-6-7-17-9-13/h4-9,17,19H,10H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 154871949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).