N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide

C25H29N3O4 — CID 42707368

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide
SMILESCOc1ccc(CCN(C)C(=O)C(C)NC(=O)Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C25H29N3O4/c1-17(26-25(30)27-21-11-7-9-19-8-5-6-10-20(19)21)24(29)28(2)15-14-18-12-13-22(31-3)23(16-18)32-4/h5-13,16-17H,14-15H2,1-4H3,(H2,26,27,30)
InChIKeySFATVBQJRSIMEQ-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.07
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide (PubChem CID 42707368) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide
PubChem CID42707368
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide
SMILESCOc1ccc(CCN(C)C(=O)C(C)NC(=O)Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C25H29N3O4/c1-17(26-25(30)27-21-11-7-9-19-8-5-6-10-20(19)21)24(29)28(2)15-14-18-12-13-22(31-3)23(16-18)32-4/h5-13,16-17H,14-15H2,1-4H3,(H2,26,27,30)
InChIKeySFATVBQJRSIMEQ-UHFFFAOYSA-N
XLogP4.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide
CID 42707369
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanamide
CID 42707361
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanamide
CID 42707376
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968883
methyl N-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 163728609
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 8798163
(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461268
[2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamoyl]naphthalen-1-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 11169458
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)-N,3-dimethylbutanamide
CID 42706026
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
CID 770468
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea
CID 171678550

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide (CID 42707368) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide is COc1ccc(CCN(C)C(=O)C(C)NC(=O)Nc2cccc3ccccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide?
The InChIKey is SFATVBQJRSIMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-17(26-25(30)27-21-11-7-9-19-8-5-6-10-20(19)21)24(29)28(2)15-14-18-12-13-22(31-3)23(16-18)32-4/h5-13,16-17H,14-15H2,1-4H3,(H2,26,27,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide has a molecular weight of 435.52 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide is sourced from PubChem (CID 42707368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).