N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide

C17H20N2O2 — CID 1485174

IUPACN-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(C(=O)c2ccc(C)cc2)c[nH]1
InChIInChI=1S/C17H20N2O2/c1-4-12(3)19-17(21)15-9-14(10-18-15)16(20)13-7-5-11(2)6-8-13/h5-10,12,18H,4H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyURAMVRSIZIHSMN-LBPRGKRZSA-N
MW284.36 g/mol
LogP3.08
Rot. Bonds5

About N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide

N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide (PubChem CID 1485174) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide
PubChem CID1485174
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(C(=O)c2ccc(C)cc2)c[nH]1
InChIInChI=1S/C17H20N2O2/c1-4-12(3)19-17(21)15-9-14(10-18-15)16(20)13-7-5-11(2)6-8-13/h5-10,12,18H,4H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyURAMVRSIZIHSMN-LBPRGKRZSA-N
XLogP3.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-N-[(2S)-butan-2-yl]-1H-pyrrole-2-carboxamide
CID 40574070
N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide
CID 3817065
4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
CID 43641940
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
(2S,3S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 61132584
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 43394554
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
CID 58897100

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide (CID 1485174) is N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide is CC[C@H](C)NC(=O)c1cc(C(=O)c2ccc(C)cc2)c[nH]1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide?
The InChIKey is URAMVRSIZIHSMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-12(3)19-17(21)15-9-14(10-18-15)16(20)13-7-5-11(2)6-8-13/h5-10,12,18H,4H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide?
N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1485174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).