2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide

C25H29N3O3 — CID 41253031

IUPAC2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc([C@@H](NC(=O)N(C)CC(=O)Nc2cccc3ccccc23)C(C)C)cc1
InChIInChI=1S/C25H29N3O3/c1-17(2)24(19-12-14-20(31-4)15-13-19)27-25(30)28(3)16-23(29)26-22-11-7-9-18-8-5-6-10-21(18)22/h5-15,17,24H,16H2,1-4H3,(H,26,29)(H,27,30)/t24-/m0/s1
InChIKeyALLIHWRJLLCDEM-DEOSSOPVSA-N
MW419.53 g/mol
LogP4.83
Rot. Bonds7

About 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide

2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide (PubChem CID 41253031) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide
PubChem CID41253031
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc([C@@H](NC(=O)N(C)CC(=O)Nc2cccc3ccccc23)C(C)C)cc1
InChIInChI=1S/C25H29N3O3/c1-17(2)24(19-12-14-20(31-4)15-13-19)27-25(30)28(3)16-23(29)26-22-11-7-9-18-8-5-6-10-21(18)22/h5-15,17,24H,16H2,1-4H3,(H,26,29)(H,27,30)/t24-/m0/s1
InChIKeyALLIHWRJLLCDEM-DEOSSOPVSA-N
XLogP4.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 40624086
2-[ethyl-[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24566061
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 26897595
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide
CID 9208716
N-[1-[4-ethyl-5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methoxybenzamide
CID 3468923
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 999545
2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 27637883
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide (CID 41253031) is 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide is COc1ccc([C@@H](NC(=O)N(C)CC(=O)Nc2cccc3ccccc23)C(C)C)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide?
The InChIKey is ALLIHWRJLLCDEM-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17(2)24(19-12-14-20(31-4)15-13-19)27-25(30)28(3)16-23(29)26-22-11-7-9-18-8-5-6-10-21(18)22/h5-15,17,24H,16H2,1-4H3,(H,26,29)(H,27,30)/t24-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide?
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide has a molecular weight of 419.53 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 41253031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).