N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide

C23H26N2O2 — CID 18109898

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C23H26N2O2/c1-25(2)20(13-17-9-5-4-6-10-17)16-24-23(26)21-14-18-11-7-8-12-19(18)15-22(21)27-3/h4-12,14-15,20H,13,16H2,1-3H3,(H,24,26)
InChIKeyXGKPIDDWHJJWRM-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.75
Rot. Bonds7

About N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide

N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 18109898) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID18109898
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C23H26N2O2/c1-25(2)20(13-17-9-5-4-6-10-17)16-24-23(26)21-14-18-11-7-8-12-19(18)15-22(21)27-3/h4-12,14-15,20H,13,16H2,1-3H3,(H,24,26)
InChIKeyXGKPIDDWHJJWRM-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide
CID 24650094
N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55450378
3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056
2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methoxyphenyl)propanamide
CID 51186444
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-3-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 18156560
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 51186413
3-bromo-N-[2-(dimethylamino)-3-phenylpropyl]-5-methoxy-4-propoxybenzamide
CID 55337317
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide
CID 51150496

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide (CID 18109898) is N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCC(Cc1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is XGKPIDDWHJJWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-25(2)20(13-17-9-5-4-6-10-17)16-24-23(26)21-14-18-11-7-8-12-19(18)15-22(21)27-3/h4-12,14-15,20H,13,16H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide?
N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 18109898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).