2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide

C15H23N3O2 — CID 65227019

IUPAC2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide
SMILESCCCC(CN)C(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-2-6-13(9-16)15(20)18-11-14(19)17-10-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyCVACTYJDOGTZTC-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.79
Rot. Bonds8

About 2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide

2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide (PubChem CID 65227019) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide
PubChem CID65227019
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide
SMILESCCCC(CN)C(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-2-6-13(9-16)15(20)18-11-14(19)17-10-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyCVACTYJDOGTZTC-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(heptan-4-ylamino)acetamide
CID 54881646
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
CID 65229446
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]pentanamide
CID 65226161
N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851864
N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
CID 82984622
2-amino-N-benzylpentanamide
CID 11020044
ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate
CID 64669138
(2S)-2-[2-(aminomethyl)pentanoylamino]-4-phenylbutanoic acid
CID 104983409
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide
CID 65227942
2-amino-N-[2-(benzylamino)-2-oxoethyl]butanediamide
CID 60971806
N-benzyl-2-hydroxypentanamide
CID 141058656

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide (CID 65227019) is 2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide is CCCC(CN)C(=O)NCC(=O)NCc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide?
The InChIKey is CVACTYJDOGTZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-6-13(9-16)15(20)18-11-14(19)17-10-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide?
2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide has a molecular weight of 277.37 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 65227019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).