2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide

C15H23N3O3 — CID 119305831

IUPAC2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
SMILESCCCC(N)C(=O)NCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H23N3O3/c1-3-4-13(16)15(20)18-10-14(19)17-9-11-5-7-12(21-2)8-6-11/h5-8,13H,3-4,9-10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyARJMEONYVLYKAF-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.56
Rot. Bonds8

About 2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide

2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide (PubChem CID 119305831) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
PubChem CID119305831
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
SMILESCCCC(N)C(=O)NCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H23N3O3/c1-3-4-13(16)15(20)18-10-14(19)17-9-11-5-7-12(21-2)8-6-11/h5-8,13H,3-4,9-10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyARJMEONYVLYKAF-UHFFFAOYSA-N
XLogP0.56
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pentanamide
CID 119322060
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
(2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 25170715
2-methoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 60589002
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
2-amino-N-benzylpentanamide
CID 11020044
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
CID 108998624
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 54814460

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide?
The IUPAC name of 2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide (CID 119305831) is 2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide is CCCC(N)C(=O)NCC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide?
The InChIKey is ARJMEONYVLYKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-4-13(16)15(20)18-10-14(19)17-9-11-5-7-12(21-2)8-6-11/h5-8,13H,3-4,9-10,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide?
2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide has a molecular weight of 293.37 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide is sourced from PubChem (CID 119305831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).