2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide

C15H23N3O2 — CID 115431675

IUPAC2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1ccccc1CC(N)=O
InChIInChI=1S/C15H23N3O2/c1-3-15(4-2,10-16)14(20)18-12-8-6-5-7-11(12)9-13(17)19/h5-8H,3-4,9-10,16H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyZSZOMSJZUNTOHU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.42
Rot. Bonds7

About 2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide

2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide (PubChem CID 115431675) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide
PubChem CID115431675
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1ccccc1CC(N)=O
InChIInChI=1S/C15H23N3O2/c1-3-15(4-2,10-16)14(20)18-12-8-6-5-7-11(12)9-13(17)19/h5-8H,3-4,9-10,16H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyZSZOMSJZUNTOHU-UHFFFAOYSA-N
XLogP1.42
TPSA98.21 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 ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]phenyl]acetic acid
CID 115432487
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide
CID 114327737
N-[2-(2-amino-2-oxoethyl)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732853
N-[2-(aminomethyl)phenyl]-2,2-dimethylbutanamide
CID 63756106
N-[2-(2-amino-2-oxoethyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 86929205
N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 51080425
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromobutanamide
CID 62856321
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,2-dimethylbenzamide
CID 115431926
2-(aminomethyl)-2-ethyl-N-(2,4,5-trifluorophenyl)butanamide
CID 62815380
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide
CID 113308938
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-fluorobenzamide
CID 115431791
2-[2-(propylamino)phenyl]acetamide
CID 43738591

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide (CID 115431675) is 2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide is CCC(CC)(CN)C(=O)Nc1ccccc1CC(N)=O.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide?
The InChIKey is ZSZOMSJZUNTOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-15(4-2,10-16)14(20)18-12-8-6-5-7-11(12)9-13(17)19/h5-8H,3-4,9-10,16H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide?
2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide has a molecular weight of 277.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide is sourced from PubChem (CID 115431675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).