(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide

C15H24N2O2 — CID 61163368

IUPAC(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
SMILESCCN(C(=O)[C@@H](N)Cc1ccccc1)C(C)COC
InChIInChI=1S/C15H24N2O2/c1-4-17(12(2)11-19-3)15(18)14(16)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,16H2,1-3H3/t12?,14-/m0/s1
InChIKeyZPBTYZJZWIMMBU-PYMCNQPYSA-N
MW264.37 g/mol
LogP1.44
Rot. Bonds7

About (2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide

(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide (PubChem CID 61163368) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
PubChem CID61163368
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
SMILESCCN(C(=O)[C@@H](N)Cc1ccccc1)C(C)COC
InChIInChI=1S/C15H24N2O2/c1-4-17(12(2)11-19-3)15(18)14(16)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,16H2,1-3H3/t12?,14-/m0/s1
InChIKeyZPBTYZJZWIMMBU-PYMCNQPYSA-N
XLogP1.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 78985414
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
CID 61163372
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
CID 78985735
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
CID 61158556
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980750
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 104861606
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide (CID 61163368) is (2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide is CCN(C(=O)[C@@H](N)Cc1ccccc1)C(C)COC.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide?
The InChIKey is ZPBTYZJZWIMMBU-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-17(12(2)11-19-3)15(18)14(16)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,16H2,1-3H3/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide?
(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 61163368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).