N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide

C24H26N2O2 — CID 47025390

IUPACN-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc2cc(CNC(C)c3ccc(NC(=O)C4CC4)cc3)ccc2c1
InChIInChI=1S/C24H26N2O2/c1-16(18-7-10-22(11-8-18)26-24(27)19-5-6-19)25-15-17-3-4-21-14-23(28-2)12-9-20(21)13-17/h3-4,7-14,16,19,25H,5-6,15H2,1-2H3,(H,26,27)
InChIKeyOZYBAGVRBSWVKC-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.05
Rot. Bonds7

About N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 47025390) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID47025390
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc2cc(CNC(C)c3ccc(NC(=O)C4CC4)cc3)ccc2c1
InChIInChI=1S/C24H26N2O2/c1-16(18-7-10-22(11-8-18)26-24(27)19-5-6-19)25-15-17-3-4-21-14-23(28-2)12-9-20(21)13-17/h3-4,7-14,16,19,25H,5-6,15H2,1-2H3,(H,26,27)
InChIKeyOZYBAGVRBSWVKC-UHFFFAOYSA-N
XLogP5.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]methyl]benzoic acid
CID 122030150
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266
N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 75396185
N-[4-[1-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591052
N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 94193646
1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052745
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025388
1-(cyclopropanecarbonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 46692059
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
1-[2-(4-methoxyphenyl)acetyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006818
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 47025390) is N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide is COc1ccc2cc(CNC(C)c3ccc(NC(=O)C4CC4)cc3)ccc2c1.
What is the InChIKey of N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is OZYBAGVRBSWVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-16(18-7-10-22(11-8-18)26-24(27)19-5-6-19)25-15-17-3-4-21-14-23(28-2)12-9-20(21)13-17/h3-4,7-14,16,19,25H,5-6,15H2,1-2H3,(H,26,27).
What are the key properties of N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 374.48 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 47025390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).