N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide

C14H21N3O2 — CID 63210532

IUPACN-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCC(N)=O)cc1C
InChIInChI=1S/C14H21N3O2/c1-3-7-16-12-5-4-11(9-10(12)2)14(19)17-8-6-13(15)18/h4-5,9,16H,3,6-8H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyYIZIZKXDLAZDCW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.42
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide

N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide (PubChem CID 63210532) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
PubChem CID63210532
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCC(N)=O)cc1C
InChIInChI=1S/C14H21N3O2/c1-3-7-16-12-5-4-11(9-10(12)2)14(19)17-8-6-13(15)18/h4-5,9,16H,3,6-8H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyYIZIZKXDLAZDCW-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide
CID 63213686
3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide
CID 83145027
4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63214027
3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106409151
N-[3-(ethylamino)-3-oxopropyl]-4-hydrazinyl-3-methylbenzamide
CID 113411061
3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934
3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
CID 63283692
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide
CID 106408291
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
4-(2,2-dicyanoethenylamino)-3-methyl-N-propylbenzamide
CID 168542026

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide (CID 63210532) is N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCCC(N)=O)cc1C.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide?
The InChIKey is YIZIZKXDLAZDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-7-16-12-5-4-11(9-10(12)2)14(19)17-8-6-13(15)18/h4-5,9,16H,3,6-8H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide?
N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide is sourced from PubChem (CID 63210532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).