(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

C19H21N5O2 — CID 51054807

IUPAC(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCOc1ccc(CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-17-9-7-15(8-10-17)11-12-20-19(25)18(24-14-21-22-23-24)13-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3,(H,20,25)/t18-/m0/s1
InChIKeyYEJPYLOSZBVZBD-SFHVURJKSA-N
MW351.41 g/mol
LogP1.82
Rot. Bonds8

About (2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 51054807) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID51054807
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCOc1ccc(CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-17-9-7-15(8-10-17)11-12-20-19(25)18(24-14-21-22-23-24)13-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3,(H,20,25)/t18-/m0/s1
InChIKeyYEJPYLOSZBVZBD-SFHVURJKSA-N
XLogP1.82
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide
CID 46447445
(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 124860255
(2R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 97052008
(2S)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 97052009
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 91791500
(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814887
3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide
CID 60556281
(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 33366690
2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8509646
(2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide
CID 124735606
N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51231474

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 51054807) is (2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1.
What is the InChIKey of (2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is YEJPYLOSZBVZBD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-17-9-7-15(8-10-17)11-12-20-19(25)18(24-14-21-22-23-24)13-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3,(H,20,25)/t18-/m0/s1.
What are the key properties of (2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 51054807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).