4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide

C15H23N3O2 — CID 43697529

IUPAC4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H23N3O2/c1-4-18(5-2)15(20)11(3)17-14(19)13-8-6-12(10-16)7-9-13/h6-9,11H,4-5,10,16H2,1-3H3,(H,17,19)
InChIKeyXSDYPHWQABYPSX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.13
Rot. Bonds6

About 4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide

4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 43697529) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID43697529
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H23N3O2/c1-4-18(5-2)15(20)11(3)17-14(19)13-8-6-12(10-16)7-9-13/h6-9,11H,4-5,10,16H2,1-3H3,(H,17,19)
InChIKeyXSDYPHWQABYPSX-UHFFFAOYSA-N
XLogP1.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238
2-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114325735
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 115597576
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
CID 54938221
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
4-(aminomethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43699907
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid
CID 115582897
N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
CID 134045614
(2S)-2-[[4-(aminomethyl)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 61160949
(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid
CID 113342255

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide (CID 43697529) is 4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide is CCN(CC)C(=O)C(C)NC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is XSDYPHWQABYPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-18(5-2)15(20)11(3)17-14(19)13-8-6-12(10-16)7-9-13/h6-9,11H,4-5,10,16H2,1-3H3,(H,17,19).
What are the key properties of 4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide?
4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 43697529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).