4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide

C14H21N3O3 — CID 103155317

IUPAC4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C14H21N3O3/c1-20-12(8-15)7-13(18)17-10-14(19)16-9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyZEBPNCNVBWPIKL-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.22
Rot. Bonds8

About 4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide

4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide (PubChem CID 103155317) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
PubChem CID103155317
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C14H21N3O3/c1-20-12(8-15)7-13(18)17-10-14(19)16-9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyZEBPNCNVBWPIKL-UHFFFAOYSA-N
XLogP-0.22
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
CID 120588235
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588541
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120594872
3,4-diamino-N-benzylbutanamide
CID 57016843
4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597422
4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 120588959
N-benzyl-2-(methoxyamino)acetamide
CID 60702706

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide (CID 103155317) is 4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide is COC(CN)CC(=O)NCC(=O)NCc1ccccc1.
What is the InChIKey of 4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide?
The InChIKey is ZEBPNCNVBWPIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-20-12(8-15)7-13(18)17-10-14(19)16-9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide?
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide has a molecular weight of 279.34 g/mol, XLogP of -0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide is sourced from PubChem (CID 103155317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).