N-(2,3-dimethylbutyl)-4-(propylamino)benzamide

C16H26N2O — CID 64581359

IUPACN-(2,3-dimethylbutyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCC(C)C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-10-17-15-8-6-14(7-9-15)16(19)18-11-13(4)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyDGEHTKKTBPTCCH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.53
Rot. Bonds7

About N-(2,3-dimethylbutyl)-4-(propylamino)benzamide

N-(2,3-dimethylbutyl)-4-(propylamino)benzamide (PubChem CID 64581359) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-4-(propylamino)benzamide
PubChem CID64581359
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2,3-dimethylbutyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCC(C)C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-10-17-15-8-6-14(7-9-15)16(19)18-11-13(4)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyDGEHTKKTBPTCCH-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
N-pentyl-4-(propylamino)benzamide
CID 62185567
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
N-benzyl-4-(propylamino)benzamide
CID 62172438
2-[[4-(propylamino)benzoyl]amino]ethyl carbamate
CID 83215122
N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
CID 106241045
1-[4-(propylamino)phenyl]ethanone
CID 7304598
N-(cyclobutylmethyl)-4-(propylamino)benzamide
CID 62170357
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
4-(2,3-dimethylbutylamino)benzoic acid
CID 64599150
4-(ethylamino)-N-(2-methoxypropyl)benzamide
CID 102700595
N-(2-hydroxypropyl)-N-methyl-4-(propylamino)benzamide
CID 62335915

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-4-(propylamino)benzamide?
The IUPAC name of N-(2,3-dimethylbutyl)-4-(propylamino)benzamide (CID 64581359) is N-(2,3-dimethylbutyl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-4-(propylamino)benzamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCC(C)C(C)C)cc1.
What is the InChIKey of N-(2,3-dimethylbutyl)-4-(propylamino)benzamide?
The InChIKey is DGEHTKKTBPTCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-10-17-15-8-6-14(7-9-15)16(19)18-11-13(4)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of N-(2,3-dimethylbutyl)-4-(propylamino)benzamide?
N-(2,3-dimethylbutyl)-4-(propylamino)benzamide has a molecular weight of 262.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-4-(propylamino)benzamide is sourced from PubChem (CID 64581359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).