3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide

C29H29NO2 — CID 3260933

IUPAC3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCc1ccc(C(CC(=O)Nc2cccc3ccccc23)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C29H29NO2/c1-20(2)32-25-17-15-24(16-18-25)27(23-13-11-21(3)12-14-23)19-29(31)30-28-10-6-8-22-7-4-5-9-26(22)28/h4-18,20,27H,19H2,1-3H3,(H,30,31)
InChIKeyNIBMBZUOECCSRY-UHFFFAOYSA-N
MW423.56 g/mol
LogP7.10
Rot. Bonds7

About 3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide

3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 3260933) has the molecular formula C29H29NO2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID3260933
Molecular FormulaC29H29NO2
Molecular Weight423.56 g/mol
Exact Mass423.22
IUPAC Name3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCc1ccc(C(CC(=O)Nc2cccc3ccccc23)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C29H29NO2/c1-20(2)32-25-17-15-24(16-18-25)27(23-13-11-21(3)12-14-23)19-29(31)30-28-10-6-8-22-7-4-5-9-26(22)28/h4-18,20,27H,19H2,1-3H3,(H,30,31)
InChIKeyNIBMBZUOECCSRY-UHFFFAOYSA-N
XLogP7.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 3697490
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
(3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 40838358
(3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 7618737
N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine
CID 54795940
(2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid
CID 851942
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 3536820
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide
CID 41253031

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide (CID 3260933) is 3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide is Cc1ccc(C(CC(=O)Nc2cccc3ccccc23)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is NIBMBZUOECCSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO2/c1-20(2)32-25-17-15-24(16-18-25)27(23-13-11-21(3)12-14-23)19-29(31)30-28-10-6-8-22-7-4-5-9-26(22)28/h4-18,20,27H,19H2,1-3H3,(H,30,31).
What are the key properties of 3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide?
3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 423.56 g/mol, XLogP of 7.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 3260933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).