N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide

C30H35ClN2O3 — CID 25193057

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide
SMILESCN(C)CC(Cc1ccc(Cl)cc1)N(C(=O)c1cccc2ccccc12)C1CCC2(CC1)OCCO2
InChIInChI=1S/C30H35ClN2O3/c1-32(2)21-26(20-22-10-12-24(31)13-11-22)33(25-14-16-30(17-15-25)35-18-19-36-30)29(34)28-9-5-7-23-6-3-4-8-27(23)28/h3-13,25-26H,14-21H2,1-2H3
InChIKeyJPHDHYXYIFJMAG-UHFFFAOYSA-N
MW507.07 g/mol
LogP5.79
Rot. Bonds7

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide (PubChem CID 25193057) has the molecular formula C30H35ClN2O3 and a molecular weight of 507.07 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide
PubChem CID25193057
Molecular FormulaC30H35ClN2O3
Molecular Weight507.07 g/mol
Exact Mass506.23
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide
SMILESCN(C)CC(Cc1ccc(Cl)cc1)N(C(=O)c1cccc2ccccc12)C1CCC2(CC1)OCCO2
InChIInChI=1S/C30H35ClN2O3/c1-32(2)21-26(20-22-10-12-24(31)13-11-22)33(25-14-16-30(17-15-25)35-18-19-36-30)29(34)28-9-5-7-23-6-3-4-8-27(23)28/h3-13,25-26H,14-21H2,1-2H3
InChIKeyJPHDHYXYIFJMAG-UHFFFAOYSA-N
XLogP5.79
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.07
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide (CID 25193057) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide is CN(C)CC(Cc1ccc(Cl)cc1)N(C(=O)c1cccc2ccccc12)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide?
The InChIKey is JPHDHYXYIFJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN2O3/c1-32(2)21-26(20-22-10-12-24(31)13-11-22)33(25-14-16-30(17-15-25)35-18-19-36-30)29(34)28-9-5-7-23-6-3-4-8-27(23)28/h3-13,25-26H,14-21H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide has a molecular weight of 507.07 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 25193057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).