2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide

C15H23N3O2 — CID 65224864

IUPAC2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(CC(=O)NC)cc1
InChIInChI=1S/C15H23N3O2/c1-3-4-12(10-16)15(20)18-13-7-5-11(6-8-13)9-14(19)17-2/h5-8,12H,3-4,9-10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNUFKAQOEVQGSMR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.29
Rot. Bonds7

About 2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide

2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide (PubChem CID 65224864) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
PubChem CID65224864
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(CC(=O)NC)cc1
InChIInChI=1S/C15H23N3O2/c1-3-4-12(10-16)15(20)18-13-7-5-11(6-8-13)9-14(19)17-2/h5-8,12H,3-4,9-10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNUFKAQOEVQGSMR-UHFFFAOYSA-N
XLogP1.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65225386
methyl 4-[2-(aminomethyl)pentanoylamino]benzoate
CID 65229383
(E)-3-[4-[2-(aminomethyl)pentanoylamino]phenyl]prop-2-enoic acid
CID 115342316
1-[4-[2-(aminomethyl)pentanoylamino]phenyl]cyclopropane-1-carboxylic acid
CID 115913984
2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 65225076
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
(2R)-2-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-methylsulfanylbutanamide
CID 104907289
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide
CID 11738326
5-[2-(aminomethyl)pentanoylamino]benzene-1,3-dicarboxylic acid
CID 65229252
(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
CID 62671203

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide (CID 65224864) is 2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide is CCCC(CN)C(=O)Nc1ccc(CC(=O)NC)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide?
The InChIKey is NUFKAQOEVQGSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-4-12(10-16)15(20)18-13-7-5-11(6-8-13)9-14(19)17-2/h5-8,12H,3-4,9-10,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide?
2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide has a molecular weight of 277.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide is sourced from PubChem (CID 65224864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).