4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide

C16H25N3O2 — CID 82097324

IUPAC4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide
SMILESCC(C)(C)C(=O)NCCCNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)15(21)19-10-4-9-18-14(20)13-7-5-12(11-17)6-8-13/h5-8H,4,9-11,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyUMRWJIDMZXTEIN-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.43
Rot. Bonds6

About 4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide

4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide (PubChem CID 82097324) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide
PubChem CID82097324
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide
SMILESCC(C)(C)C(=O)NCCCNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)15(21)19-10-4-9-18-14(20)13-7-5-12(11-17)6-8-13/h5-8H,4,9-11,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyUMRWJIDMZXTEIN-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 82097400
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
4-(aminomethyl)-N-[3-(ethylsulfonylamino)propyl]benzamide
CID 119311626
4-(aminomethyl)-N-(4,4,4-trifluorobutyl)benzamide;hydrochloride
CID 119322430
4-(aminomethyl)-N-(3-cyanopropyl)benzamide
CID 62667032
4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
CID 82097377
4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934829
4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115734394
4-(aminomethyl)-N-pent-3-ynylbenzamide
CID 116644093
N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119626861
4-(aminomethyl)-N-(2-oxopropyl)benzamide
CID 23579223

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide (CID 82097324) is 4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide is CC(C)(C)C(=O)NCCCNC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide?
The InChIKey is UMRWJIDMZXTEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)15(21)19-10-4-9-18-14(20)13-7-5-12(11-17)6-8-13/h5-8H,4,9-11,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide?
4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide is sourced from PubChem (CID 82097324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).