(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide

C16H26N2O2 — CID 78985515

IUPAC(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCCC(C)N(CCOC)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-4-13(2)18(10-11-20-3)16(19)15(17)12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12,17H2,1-3H3/t13?,15-/m1/s1
InChIKeyWOISFDAEPVKSBP-AWKYBWMHSA-N
MW278.40 g/mol
LogP1.83
Rot. Bonds8

About (2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide

(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide (PubChem CID 78985515) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
PubChem CID78985515
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCCC(C)N(CCOC)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-4-13(2)18(10-11-20-3)16(19)15(17)12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12,17H2,1-3H3/t13?,15-/m1/s1
InChIKeyWOISFDAEPVKSBP-AWKYBWMHSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
CID 61163372
2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76911958
(2R)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 78985414
(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 61163368
2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
CID 78985735
2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
CID 62473405
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
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide (CID 78985515) is (2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide is CCC(C)N(CCOC)C(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide?
The InChIKey is WOISFDAEPVKSBP-AWKYBWMHSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-13(2)18(10-11-20-3)16(19)15(17)12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12,17H2,1-3H3/t13?,15-/m1/s1.
What are the key properties of (2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide?
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 78985515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).