3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide

C14H21N3O4 — CID 119734347

IUPAC3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
SMILESCOc1cc(CNC(=O)CC(C)N)ccc1OCC(N)=O
InChIInChI=1S/C14H21N3O4/c1-9(15)5-14(19)17-7-10-3-4-11(12(6-10)20-2)21-8-13(16)18/h3-4,6,9H,5,7-8,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyRWNBYRAJAIJCBY-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.09
Rot. Bonds8

About 3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide

3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide (PubChem CID 119734347) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
PubChem CID119734347
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
SMILESCOc1cc(CNC(=O)CC(C)N)ccc1OCC(N)=O
InChIInChI=1S/C14H21N3O4/c1-9(15)5-14(19)17-7-10-3-4-11(12(6-10)20-2)21-8-13(16)18/h3-4,6,9H,5,7-8,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyRWNBYRAJAIJCBY-UHFFFAOYSA-N
XLogP-0.09
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]butanamide
CID 115154174
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide (CID 119734347) is 3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide is COc1cc(CNC(=O)CC(C)N)ccc1OCC(N)=O.
What is the InChIKey of 3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide?
The InChIKey is RWNBYRAJAIJCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9(15)5-14(19)17-7-10-3-4-11(12(6-10)20-2)21-8-13(16)18/h3-4,6,9H,5,7-8,15H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide?
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide has a molecular weight of 295.34 g/mol, XLogP of -0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide is sourced from PubChem (CID 119734347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).