N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

C17H25N3O3 — CID 17471911

IUPACN-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCCNC(=O)CNC(=O)C(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C17H25N3O3/c1-4-18-15(22)11-19-17(23)16(12(2)3)20-14(21)10-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyFPZUJTMFQPCUBT-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.62
Rot. Bonds8

About N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 17471911) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
PubChem CID17471911
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCCNC(=O)CNC(=O)C(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C17H25N3O3/c1-4-18-15(22)11-19-17(23)16(12(2)3)20-14(21)10-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyFPZUJTMFQPCUBT-UHFFFAOYSA-N
XLogP0.62
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 84941976
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17475044
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
(2S)-3-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]butanoic acid
CID 40551618
3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119527674
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
2-ethoxy-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9224516
(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 94733041
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
2-[[2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]acetic acid
CID 70914794

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (CID 17471911) is N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is CCNC(=O)CNC(=O)C(NC(=O)Cc1ccccc1)C(C)C.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is FPZUJTMFQPCUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-18-15(22)11-19-17(23)16(12(2)3)20-14(21)10-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 319.41 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 17471911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).