N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide

C17H20N2O — CID 28754642

IUPACN-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(CCCN)cc1
InChIInChI=1S/C17H20N2O/c1-13-5-2-3-7-16(13)17(20)19-15-10-8-14(9-11-15)6-4-12-18/h2-3,5,7-11H,4,6,12,18H2,1H3,(H,19,20)
InChIKeyIIULIOYWZYHWLA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.14
Rot. Bonds5

About N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide

N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide (PubChem CID 28754642) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
PubChem CID28754642
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(CCCN)cc1
InChIInChI=1S/C17H20N2O/c1-13-5-2-3-7-16(13)17(20)19-15-10-8-14(9-11-15)6-4-12-18/h2-3,5,7-11H,4,6,12,18H2,1H3,(H,19,20)
InChIKeyIIULIOYWZYHWLA-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
CID 46760313
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
3-phenylpropyl 5-[4-[(2-methylbenzoyl)amino]anilino]-5-oxopentanoate
CID 17251597
N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
CID 62302184
N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60803408
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601
N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide (CID 28754642) is N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(CCCN)cc1.
What is the InChIKey of N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide?
The InChIKey is IIULIOYWZYHWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-5-2-3-7-16(13)17(20)19-15-10-8-14(9-11-15)6-4-12-18/h2-3,5,7-11H,4,6,12,18H2,1H3,(H,19,20).
What are the key properties of N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide?
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 28754642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).