(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide

C17H28N2O2 — CID 61163372

IUPAC(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
SMILESCCC(CC)N(CCOC)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-4-15(5-2)19(11-12-21-3)17(20)16(18)13-14-9-7-6-8-10-14/h6-10,15-16H,4-5,11-13,18H2,1-3H3/t16-/m0/s1
InChIKeyNTCSHWYJQVIRGR-INIZCTEOSA-N
MW292.42 g/mol
LogP2.22
Rot. Bonds9

About (2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide

(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide (PubChem CID 61163372) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
PubChem CID61163372
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
SMILESCCC(CC)N(CCOC)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-4-15(5-2)19(11-12-21-3)17(20)16(18)13-14-9-7-6-8-10-14/h6-10,15-16H,4-5,11-13,18H2,1-3H3/t16-/m0/s1
InChIKeyNTCSHWYJQVIRGR-INIZCTEOSA-N
XLogP2.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
(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-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76911958
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-benzyl-N-butan-2-yl-4-methoxybutanamide
CID 62473405
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
CID 78985735
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
CID 104907756
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide (CID 61163372) is (2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide is CCC(CC)N(CCOC)C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide?
The InChIKey is NTCSHWYJQVIRGR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-15(5-2)19(11-12-21-3)17(20)16(18)13-14-9-7-6-8-10-14/h6-10,15-16H,4-5,11-13,18H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide?
(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide is sourced from PubChem (CID 61163372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).