3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide

C28H35N3O2 — CID 84567681

IUPAC3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCN(Cc2cccc3ccccc23)C2CC2)N(C)C)cc1
InChIInChI=1S/C28H35N3O2/c1-30(2)27(22-11-15-25(33-3)16-12-22)19-29-28(32)17-18-31(24-13-14-24)20-23-9-6-8-21-7-4-5-10-26(21)23/h4-12,15-16,24,27H,13-14,17-20H2,1-3H3,(H,29,32)
InChIKeyCNVOWWKIXSJMET-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.62
Rot. Bonds11

About 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 84567681) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID84567681
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCN(Cc2cccc3ccccc23)C2CC2)N(C)C)cc1
InChIInChI=1S/C28H35N3O2/c1-30(2)27(22-11-15-25(33-3)16-12-22)19-29-28(32)17-18-31(24-13-14-24)20-23-9-6-8-21-7-4-5-10-26(21)23/h4-12,15-16,24,27H,13-14,17-20H2,1-3H3,(H,29,32)
InChIKeyCNVOWWKIXSJMET-UHFFFAOYSA-N
XLogP4.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 43003309
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide
CID 84562999
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 84568226
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84569096
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 84564973
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
CID 84565019

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide (CID 84567681) is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(CNC(=O)CCN(Cc2cccc3ccccc23)C2CC2)N(C)C)cc1.
What is the InChIKey of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is CNVOWWKIXSJMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-30(2)27(22-11-15-25(33-3)16-12-22)19-29-28(32)17-18-31(24-13-14-24)20-23-9-6-8-21-7-4-5-10-26(21)23/h4-12,15-16,24,27H,13-14,17-20H2,1-3H3,(H,29,32).
What are the key properties of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 445.61 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 84567681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).