ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate

C17H25NO3 — CID 61008627

IUPACethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-4-12-18(13-16(19)21-6-3)17(20)15(5-2)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3
InChIKeySWYZOBKNJMZDSW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.98
Rot. Bonds8

About ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate

ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate (PubChem CID 61008627) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
PubChem CID61008627
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-4-12-18(13-16(19)21-6-3)17(20)15(5-2)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3
InChIKeySWYZOBKNJMZDSW-UHFFFAOYSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
ethyl 2-phenylbutanoate;sulfane
CID 174662373
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42773075
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4190376
4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498133
2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
CID 107434077
ethyl 2-[3-phenylprop-2-ynoyl(propyl)amino]acetate
CID 61008491
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate
CID 61008015
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
(3R)-4-ethoxy-4-oxo-3-phenylbutanoic acid
CID 2276730
N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide
CID 4545612
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate (CID 61008627) is ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate is CCCN(CC(=O)OCC)C(=O)C(CC)c1ccccc1.
What is the InChIKey of ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate?
The InChIKey is SWYZOBKNJMZDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-12-18(13-16(19)21-6-3)17(20)15(5-2)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3.
What are the key properties of ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate?
ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate has a molecular weight of 291.39 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate is sourced from PubChem (CID 61008627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).