1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide

C18H21N3O2 — CID 67175982

IUPAC1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
SMILESCC(C)NC(=O)c1ccccc1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C18H21N3O2/c1-12(2)20-17(22)15-5-3-4-6-16(15)18(23)21-14-9-7-13(11-19)8-10-14/h3-10,12H,11,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNODSSXBHYYYCIN-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.54
Rot. Bonds5

About 1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide

1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide (PubChem CID 67175982) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
PubChem CID67175982
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
SMILESCC(C)NC(=O)c1ccccc1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C18H21N3O2/c1-12(2)20-17(22)15-5-3-4-6-16(15)18(23)21-14-9-7-13(11-19)8-10-14/h3-10,12H,11,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNODSSXBHYYYCIN-UHFFFAOYSA-N
XLogP2.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
CID 114343071
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-propan-2-ylbenzamide
CID 71813145
N,2-di(propan-2-yl)benzamide
CID 14972595
2-[(4-fluorophenyl)methoxy]-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887151
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093713
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
2-[2-[[4-(aminomethyl)phenyl]carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid;hydrochloride
CID 11386111

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide (CID 67175982) is 1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide is CC(C)NC(=O)c1ccccc1C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of 1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
The InChIKey is NODSSXBHYYYCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(2)20-17(22)15-5-3-4-6-16(15)18(23)21-14-9-7-13(11-19)8-10-14/h3-10,12H,11,19H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 67175982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).