3-(ethylamino)-N-propylbenzamide

C12H18N2O — CID 43676038

IUPAC3-(ethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC)c1
InChIInChI=1S/C12H18N2O/c1-3-8-14-12(15)10-6-5-7-11(9-10)13-4-2/h5-7,9,13H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyCBKKFCXJICWTRO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.26
Rot. Bonds5

About 3-(ethylamino)-N-propylbenzamide

3-(ethylamino)-N-propylbenzamide (PubChem CID 43676038) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(ethylamino)-N-propylbenzamide.

Molecular Properties

Compound Name3-(ethylamino)-N-propylbenzamide
PubChem CID43676038
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(ethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC)c1
InChIInChI=1S/C12H18N2O/c1-3-8-14-12(15)10-6-5-7-11(9-10)13-4-2/h5-7,9,13H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyCBKKFCXJICWTRO-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
CID 43675966
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
3-[(4,5-dibromothiophen-2-yl)methylamino]-N-propylbenzamide
CID 102831885

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-propylbenzamide?
The IUPAC name of 3-(ethylamino)-N-propylbenzamide (CID 43676038) is 3-(ethylamino)-N-propylbenzamide.
What is the SMILES notation for 3-(ethylamino)-N-propylbenzamide?
The canonical SMILES for 3-(ethylamino)-N-propylbenzamide is CCCNC(=O)c1cccc(NCC)c1.
What is the InChIKey of 3-(ethylamino)-N-propylbenzamide?
The InChIKey is CBKKFCXJICWTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-8-14-12(15)10-6-5-7-11(9-10)13-4-2/h5-7,9,13H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 3-(ethylamino)-N-propylbenzamide?
3-(ethylamino)-N-propylbenzamide has a molecular weight of 206.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-propylbenzamide is sourced from PubChem (CID 43676038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).