N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide

C18H25N3O — CID 126437941

IUPACN-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(=O)N[C@@H](CCN(C)C)c2ccccc2)ccn1C
InChIInChI=1S/C18H25N3O/c1-14-16(10-13-21(14)4)18(22)19-17(11-12-20(2)3)15-8-6-5-7-9-15/h5-10,13,17H,11-12H2,1-4H3,(H,19,22)/t17-/m0/s1
InChIKeyQVQBINIHKVECBF-KRWDZBQOSA-N
MW299.42 g/mol
LogP2.76
Rot. Bonds6

About N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide

N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide (PubChem CID 126437941) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide
PubChem CID126437941
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(=O)N[C@@H](CCN(C)C)c2ccccc2)ccn1C
InChIInChI=1S/C18H25N3O/c1-14-16(10-13-21(14)4)18(22)19-17(11-12-20(2)3)15-8-6-5-7-9-15/h5-10,13,17H,11-12H2,1-4H3,(H,19,22)/t17-/m0/s1
InChIKeyQVQBINIHKVECBF-KRWDZBQOSA-N
XLogP2.76
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide
CID 125173754
1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide
CID 124628464
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
CID 70742212
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832
N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46974711
N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 125446316
N-[7-(dimethylamino)-1-phenylheptyl]benzamide
CID 3027100
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxybenzamide
CID 110278628
N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 122558966
2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide
CID 125160556
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-phenylacetamide;hydrochloride
CID 15983561

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide (CID 126437941) is N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide is Cc1c(C(=O)N[C@@H](CCN(C)C)c2ccccc2)ccn1C.
What is the InChIKey of N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide?
The InChIKey is QVQBINIHKVECBF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-16(10-13-21(14)4)18(22)19-17(11-12-20(2)3)15-8-6-5-7-9-15/h5-10,13,17H,11-12H2,1-4H3,(H,19,22)/t17-/m0/s1.
What are the key properties of N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide?
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 126437941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).