4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide

C16H27N3O — CID 120829950

IUPAC4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide
SMILESCCCN(CC)c1ccc(C(=O)NCC(C)NC)cc1
InChIInChI=1S/C16H27N3O/c1-5-11-19(6-2)15-9-7-14(8-10-15)16(20)18-12-13(3)17-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeySVQQUAHKNFQIJN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.26
Rot. Bonds8

About 4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide

4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide (PubChem CID 120829950) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide
PubChem CID120829950
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide
SMILESCCCN(CC)c1ccc(C(=O)NCC(C)NC)cc1
InChIInChI=1S/C16H27N3O/c1-5-11-19(6-2)15-9-7-14(8-10-15)16(20)18-12-13(3)17-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeySVQQUAHKNFQIJN-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide
CID 119996678
4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide
CID 120828485
N-[(2R)-2-(ethylamino)propyl]-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 120652365
N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120827850
N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide
CID 119495764
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide
CID 120505281
N-(2-amino-1-cyclopropylethyl)-4-[ethyl(propyl)amino]benzamide
CID 119613110
4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide
CID 120830963

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide (CID 120829950) is 4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide is CCCN(CC)c1ccc(C(=O)NCC(C)NC)cc1.
What is the InChIKey of 4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide?
The InChIKey is SVQQUAHKNFQIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-11-19(6-2)15-9-7-14(8-10-15)16(20)18-12-13(3)17-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20).
What are the key properties of 4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide?
4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 120829950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).