N,N-diethyl-3-(propylcarbamoylamino)benzamide

C15H23N3O2 — CID 47103496

IUPACN,N-diethyl-3-(propylcarbamoylamino)benzamide
SMILESCCCNC(=O)Nc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C15H23N3O2/c1-4-10-16-15(20)17-13-9-7-8-12(11-13)14(19)18(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3,(H2,16,17,20)
InChIKeyOHSKASOAYDHNNV-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.70
Rot. Bonds6

About N,N-diethyl-3-(propylcarbamoylamino)benzamide

N,N-diethyl-3-(propylcarbamoylamino)benzamide (PubChem CID 47103496) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-diethyl-3-(propylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(propylcarbamoylamino)benzamide
PubChem CID47103496
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN,N-diethyl-3-(propylcarbamoylamino)benzamide
SMILESCCCNC(=O)Nc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C15H23N3O2/c1-4-10-16-15(20)17-13-9-7-8-12(11-13)14(19)18(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3,(H2,16,17,20)
InChIKeyOHSKASOAYDHNNV-UHFFFAOYSA-N
XLogP2.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 86987634
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
CID 119685445

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(propylcarbamoylamino)benzamide?
The IUPAC name of N,N-diethyl-3-(propylcarbamoylamino)benzamide (CID 47103496) is N,N-diethyl-3-(propylcarbamoylamino)benzamide.
What is the SMILES notation for N,N-diethyl-3-(propylcarbamoylamino)benzamide?
The canonical SMILES for N,N-diethyl-3-(propylcarbamoylamino)benzamide is CCCNC(=O)Nc1cccc(C(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-3-(propylcarbamoylamino)benzamide?
The InChIKey is OHSKASOAYDHNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-10-16-15(20)17-13-9-7-8-12(11-13)14(19)18(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3,(H2,16,17,20).
What are the key properties of N,N-diethyl-3-(propylcarbamoylamino)benzamide?
N,N-diethyl-3-(propylcarbamoylamino)benzamide has a molecular weight of 277.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(propylcarbamoylamino)benzamide is sourced from PubChem (CID 47103496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).