(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

C25H25N3O2 — CID 18112945

IUPAC(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NC(C)c3ccc(-n4ccnc4)cc3)ccc2c1
InChIInChI=1S/C25H25N3O2/c1-17(20-4-5-22-15-24(30-3)11-8-21(22)14-20)25(29)27-18(2)19-6-9-23(10-7-19)28-13-12-26-16-28/h4-18H,1-3H3,(H,27,29)/t17-,18?/m0/s1
InChIKeyXADQHLWXURPGFR-ZENAZSQFSA-N
MW399.49 g/mol
LogP5.01
Rot. Bonds6

About (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 18112945) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID18112945
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NC(C)c3ccc(-n4ccnc4)cc3)ccc2c1
InChIInChI=1S/C25H25N3O2/c1-17(20-4-5-22-15-24(30-3)11-8-21(22)14-20)25(29)27-18(2)19-6-9-23(10-7-19)28-13-12-26-16-28/h4-18H,1-3H3,(H,27,29)/t17-,18?/m0/s1
InChIKeyXADQHLWXURPGFR-ZENAZSQFSA-N
XLogP5.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
CID 42916141
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide
CID 43003578
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,4-dimethoxybenzamide
CID 18112932
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 94806001
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 32660252
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
CID 35061240
4-[(5-imidazol-1-yl-2-methylphenyl)-[2-(6-methoxynaphthalen-2-yl)propanoyloxy]methyl]-3,5-dimethylbenzoic acid
CID 22116627

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 18112945) is (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc([C@H](C)C(=O)NC(C)c3ccc(-n4ccnc4)cc3)ccc2c1.
What is the InChIKey of (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is XADQHLWXURPGFR-ZENAZSQFSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17(20-4-5-22-15-24(30-3)11-8-21(22)14-20)25(29)27-18(2)19-6-9-23(10-7-19)28-13-12-26-16-28/h4-18H,1-3H3,(H,27,29)/t17-,18?/m0/s1.
What are the key properties of (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 399.49 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 18112945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).