N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide

C18H23N3O2 — CID 119572183

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C18H23N3O2/c1-3-18(4-2,12-19)21-17(23)14-7-5-13(6-8-14)16(22)15-9-10-20-11-15/h5-11,20H,3-4,12,19H2,1-2H3,(H,21,23)
InChIKeyRONILEUCLRCSMW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.49
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide

N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide (PubChem CID 119572183) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
PubChem CID119572183
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C18H23N3O2/c1-3-18(4-2,12-19)21-17(23)14-7-5-13(6-8-14)16(22)15-9-10-20-11-15/h5-11,20H,3-4,12,19H2,1-2H3,(H,21,23)
InChIKeyRONILEUCLRCSMW-UHFFFAOYSA-N
XLogP2.49
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
CID 119571299
N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 130650761
N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119569730
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 119570566
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119568876
N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
CID 119572048
N-[3-(aminomethyl)pentan-3-yl]-3-iodo-4-methylbenzamide;hydrochloride
CID 119571856
N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide
CID 115354227
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
N-[3-(aminomethyl)pentan-3-yl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119571597

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide (CID 119572183) is N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide is CCC(CC)(CN)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide?
The InChIKey is RONILEUCLRCSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-18(4-2,12-19)21-17(23)14-7-5-13(6-8-14)16(22)15-9-10-20-11-15/h5-11,20H,3-4,12,19H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide?
N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-(1H-pyrrole-3-carbonyl)benzamide is sourced from PubChem (CID 119572183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).