(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide

C27H33N3O2 — CID 55941108

IUPAC(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCN1CCN(Cc2ccc(NC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)cc2)CC1
InChIInChI=1S/C27H33N3O2/c1-4-29-13-15-30(16-14-29)19-21-5-10-25(11-6-21)28-27(31)20(2)22-7-8-24-18-26(32-3)12-9-23(24)17-22/h5-12,17-18,20H,4,13-16,19H2,1-3H3,(H,28,31)/t20-/m0/s1
InChIKeyANMYCHQCENURFC-FQEVSTJZSA-N
MW431.58 g/mol
LogP4.73
Rot. Bonds7

About (2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 55941108) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is (2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID55941108
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCN1CCN(Cc2ccc(NC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)cc2)CC1
InChIInChI=1S/C27H33N3O2/c1-4-29-13-15-30(16-14-29)19-21-5-10-25(11-6-21)28-27(31)20(2)22-7-8-24-18-26(32-3)12-9-23(24)17-22/h5-12,17-18,20H,4,13-16,19H2,1-3H3,(H,28,31)/t20-/m0/s1
InChIKeyANMYCHQCENURFC-FQEVSTJZSA-N
XLogP4.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-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

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55363194
(2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 54790083
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 54790188
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 54790263
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 51942158
3-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbutanamide;trihydrochloride
CID 120504393
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632227
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 55941108) is (2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide is CCN1CCN(Cc2ccc(NC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)cc2)CC1.
What is the InChIKey of (2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is ANMYCHQCENURFC-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-4-29-13-15-30(16-14-29)19-21-5-10-25(11-6-21)28-27(31)20(2)22-7-8-24-18-26(32-3)12-9-23(24)17-22/h5-12,17-18,20H,4,13-16,19H2,1-3H3,(H,28,31)/t20-/m0/s1.
What are the key properties of (2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 431.58 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 55941108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).