4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide

C17H21N3O3 — CID 120591295

IUPAC4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
SMILESCOC(CN)CC(=O)NCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3O3/c1-23-13(10-18)9-16(21)19-11-17(22)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13H,9-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyVVKVVSQFONLUAR-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.26
Rot. Bonds7

About 4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide

4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide (PubChem CID 120591295) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
PubChem CID120591295
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
SMILESCOC(CN)CC(=O)NCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3O3/c1-23-13(10-18)9-16(21)19-11-17(22)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13H,9-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyVVKVVSQFONLUAR-UHFFFAOYSA-N
XLogP1.26
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide
CID 96528499
2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 60593466
4-amino-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide;hydrochloride
CID 120586978
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
CID 129012663
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride
CID 119767808
4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
CID 120590484
2-(cyclopropylmethylamino)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 119767799
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408
2-amino-N-naphthalen-1-ylacetamide;hydrochloride
CID 47003070
4-amino-N-(2-cyano-3-methylphenyl)-3-methoxybutanamide
CID 107805124

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide (CID 120591295) is 4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide is COC(CN)CC(=O)NCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide?
The InChIKey is VVKVVSQFONLUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-13(10-18)9-16(21)19-11-17(22)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13H,9-11,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide?
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide has a molecular weight of 315.37 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 120591295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).