N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide

C18H23N3O2 — CID 122147154

IUPACN-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide
SMILESCCCN(C(=O)c1cc[nH]c1C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-4-12-21(18(23)16-10-11-19-13(16)2)14(3)17(22)20-15-8-6-5-7-9-15/h5-11,14,19H,4,12H2,1-3H3,(H,20,22)
InChIKeyQONQCFCTXXYARZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.20
Rot. Bonds6

About N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide

N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide (PubChem CID 122147154) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide
PubChem CID122147154
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide
SMILESCCCN(C(=O)c1cc[nH]c1C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-4-12-21(18(23)16-10-11-19-13(16)2)14(3)17(22)20-15-8-6-5-7-9-15/h5-11,14,19H,4,12H2,1-3H3,(H,20,22)
InChIKeyQONQCFCTXXYARZ-UHFFFAOYSA-N
XLogP3.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 75519630
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CID 119311611
2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride
CID 119763094
4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591026
3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
CID 82326694
2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304
N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide
CID 47090603
(2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide
CID 8771548
(2R)-N-(3-chlorophenyl)-2-[2-phenylethylcarbamothioyl(propyl)amino]propanamide
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2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide
CID 60613531
2-methyl-N-phenylpentanamide
CID 4627801
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715

Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide (CID 122147154) is N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide is CCCN(C(=O)c1cc[nH]c1C)C(C)C(=O)Nc1ccccc1.
What is the InChIKey of N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide?
The InChIKey is QONQCFCTXXYARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-12-21(18(23)16-10-11-19-13(16)2)14(3)17(22)20-15-8-6-5-7-9-15/h5-11,14,19H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide?
N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 122147154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).