(2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide

C21H26N2O2 — CID 95293193

IUPAC(2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESC[C@H](OCC1CC1)C(=O)N(CCc1ccccc1)Cc1ccncc1
InChIInChI=1S/C21H26N2O2/c1-17(25-16-20-7-8-20)21(24)23(15-19-9-12-22-13-10-19)14-11-18-5-3-2-4-6-18/h2-6,9-10,12-13,17,20H,7-8,11,14-16H2,1H3/t17-/m0/s1
InChIKeyNMDMXHYHQQAOAF-KRWDZBQOSA-N
MW338.45 g/mol
LogP3.47
Rot. Bonds9

About (2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide

(2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 95293193) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID95293193
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESC[C@H](OCC1CC1)C(=O)N(CCc1ccccc1)Cc1ccncc1
InChIInChI=1S/C21H26N2O2/c1-17(25-16-20-7-8-20)21(24)23(15-19-9-12-22-13-10-19)14-11-18-5-3-2-4-6-18/h2-6,9-10,12-13,17,20H,7-8,11,14-16H2,1H3/t17-/m0/s1
InChIKeyNMDMXHYHQQAOAF-KRWDZBQOSA-N
XLogP3.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclopropylmethoxy)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide
CID 95281968
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 95150991
2-[benzyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119196865
(2S)-N-benzyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 40891721
N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48846486
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
3-[2-methylpropanoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82323624
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 51131658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide (CID 95293193) is (2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide is C[C@H](OCC1CC1)C(=O)N(CCc1ccccc1)Cc1ccncc1.
What is the InChIKey of (2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is NMDMXHYHQQAOAF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17(25-16-20-7-8-20)21(24)23(15-19-9-12-22-13-10-19)14-11-18-5-3-2-4-6-18/h2-6,9-10,12-13,17,20H,7-8,11,14-16H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide?
(2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 95293193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).