N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide

C25H28N2O — CID 84562999

IUPACN-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C25H28N2O/c1-26(18-20-8-3-2-4-9-20)25(28)16-17-27(23-14-15-23)19-22-12-7-11-21-10-5-6-13-24(21)22/h2-13,23H,14-19H2,1H3
InChIKeyKFVXOADADNFWCP-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.85
Rot. Bonds8

About N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide

N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide (PubChem CID 84562999) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide
PubChem CID84562999
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C25H28N2O/c1-26(18-20-8-3-2-4-9-20)25(28)16-17-27(23-14-15-23)19-22-12-7-11-21-10-5-6-13-24(21)22/h2-13,23H,14-19H2,1H3
InChIKeyKFVXOADADNFWCP-UHFFFAOYSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84567191
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 84562994
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
2-[cyclobutyl(naphthalen-1-ylmethyl)amino]ethanol
CID 102677069
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
CID 84565019
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 84562978
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84569096
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 84568226
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84565003

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide (CID 84562999) is N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCN(Cc1cccc2ccccc12)C1CC1.
What is the InChIKey of N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide?
The InChIKey is KFVXOADADNFWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-26(18-20-8-3-2-4-9-20)25(28)16-17-27(23-14-15-23)19-22-12-7-11-21-10-5-6-13-24(21)22/h2-13,23H,14-19H2,1H3.
What are the key properties of N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide?
N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide has a molecular weight of 372.51 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide is sourced from PubChem (CID 84562999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).