2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide

C29H35ClN2O4 — CID 171698861

IUPAC2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide
SMILESCOc1ccc(C(=O)N2CCC3(CCC3NC(=O)C(C)c3ccc(Cl)cc3)CC2)cc1OCC1CC1
InChIInChI=1S/C29H35ClN2O4/c1-19(21-5-8-23(30)9-6-21)27(33)31-26-11-12-29(26)13-15-32(16-14-29)28(34)22-7-10-24(35-2)25(17-22)36-18-20-3-4-20/h5-10,17,19-20,26H,3-4,11-16,18H2,1-2H3,(H,31,33)
InChIKeyIDRIECWVWCMWIN-UHFFFAOYSA-N
MW511.06 g/mol
LogP5.44
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide

2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide (PubChem CID 171698861) has the molecular formula C29H35ClN2O4 and a molecular weight of 511.06 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide
PubChem CID171698861
Molecular FormulaC29H35ClN2O4
Molecular Weight511.06 g/mol
Exact Mass510.23
IUPAC Name2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide
SMILESCOc1ccc(C(=O)N2CCC3(CCC3NC(=O)C(C)c3ccc(Cl)cc3)CC2)cc1OCC1CC1
InChIInChI=1S/C29H35ClN2O4/c1-19(21-5-8-23(30)9-6-21)27(33)31-26-11-12-29(26)13-15-32(16-14-29)28(34)22-7-10-24(35-2)25(17-22)36-18-20-3-4-20/h5-10,17,19-20,26H,3-4,11-16,18H2,1-2H3,(H,31,33)
InChIKeyIDRIECWVWCMWIN-UHFFFAOYSA-N
XLogP5.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.06
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide with MolForge

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Related Compounds

4-(4-chlorophenoxy)-N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]butanamide
CID 171681147
2-(4-chlorophenyl)-N-[7-[4-(cyclopropylmethoxy)-2-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-(dimethylamino)acetamide
CID 171683371
N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide
CID 171683997
(3,4-dimethoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9109670
2-(4-chlorophenyl)-N-[4-[1-(3-methoxy-4-nitrobenzoyl)piperidin-4-yl]phenyl]propanamide
CID 171681760
(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
CID 108935721
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone
CID 91907714
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55551154
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate
CID 51644690

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide (CID 171698861) is 2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide is COc1ccc(C(=O)N2CCC3(CCC3NC(=O)C(C)c3ccc(Cl)cc3)CC2)cc1OCC1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide?
The InChIKey is IDRIECWVWCMWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN2O4/c1-19(21-5-8-23(30)9-6-21)27(33)31-26-11-12-29(26)13-15-32(16-14-29)28(34)22-7-10-24(35-2)25(17-22)36-18-20-3-4-20/h5-10,17,19-20,26H,3-4,11-16,18H2,1-2H3,(H,31,33).
What are the key properties of 2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide?
2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide has a molecular weight of 511.06 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide is sourced from PubChem (CID 171698861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).