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

C12H17N3O2 — CID 61464238

IUPAC4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H17N3O2/c1-8(11(16)14-2)15-12(17)10-5-3-9(7-13)4-6-10/h3-6,8H,7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNRLUGAWUWZIQIO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.01
Rot. Bonds4

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

4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 61464238) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID61464238
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H17N3O2/c1-8(11(16)14-2)15-12(17)10-5-3-9(7-13)4-6-10/h3-6,8H,7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNRLUGAWUWZIQIO-UHFFFAOYSA-N
XLogP0.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950383
4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315821
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 43697529
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950805
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
methyl 3-[[4-(aminomethyl)benzoyl]amino]butanoate;hydrochloride
CID 119274296
4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide
CID 122157402
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 61464238) is 4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(C)NC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is NRLUGAWUWZIQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(11(16)14-2)15-12(17)10-5-3-9(7-13)4-6-10/h3-6,8H,7,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 61464238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).