2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide

C17H27N3O2 — CID 21062343

IUPAC2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide
SMILESCCNC(=O)C(Cc1ccccc1)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-5-19-15(21)13(11-12-9-7-6-8-10-12)20-16(22)14(18)17(2,3)4/h6-10,13-14H,5,11,18H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyFXVWOCRCHAMJMG-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.22
Rot. Bonds6

About 2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide

2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide (PubChem CID 21062343) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide
PubChem CID21062343
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide
SMILESCCNC(=O)C(Cc1ccccc1)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-5-19-15(21)13(11-12-9-7-6-8-10-12)20-16(22)14(18)17(2,3)4/h6-10,13-14H,5,11,18H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyFXVWOCRCHAMJMG-UHFFFAOYSA-N
XLogP1.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-phenylpropanoic acid
CID 61174366
(2R)-2-amino-N-[(2S)-1-[2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 10841941
(2S)-2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 103929543
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 70927054
benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium
CID 70147740
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
(2S)-N-ethyl-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-3-phenylpropanamide
CID 135192567
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide (CID 21062343) is 2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide is CCNC(=O)C(Cc1ccccc1)NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is FXVWOCRCHAMJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-19-15(21)13(11-12-9-7-6-8-10-12)20-16(22)14(18)17(2,3)4/h6-10,13-14H,5,11,18H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide?
2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 305.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 21062343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).