4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide

C25H31N3O2 — CID 59030498

IUPAC4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide
SMILESCN1CCC2(CCN(c3ccc(NC(=O)c4ccc(OCC5CC5)cc4)cc3)C2)C1
InChIInChI=1S/C25H31N3O2/c1-27-14-12-25(17-27)13-15-28(18-25)22-8-6-21(7-9-22)26-24(29)20-4-10-23(11-5-20)30-16-19-2-3-19/h4-11,19H,2-3,12-18H2,1H3,(H,26,29)
InChIKeyXLVCYFVTBONUOE-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.26
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide

4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide (PubChem CID 59030498) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide
PubChem CID59030498
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide
SMILESCN1CCC2(CCN(c3ccc(NC(=O)c4ccc(OCC5CC5)cc4)cc3)C2)C1
InChIInChI=1S/C25H31N3O2/c1-27-14-12-25(17-27)13-15-28(18-25)22-8-6-21(7-9-22)26-24(29)20-4-10-23(11-5-20)30-16-19-2-3-19/h4-11,19H,2-3,12-18H2,1H3,(H,26,29)
InChIKeyXLVCYFVTBONUOE-UHFFFAOYSA-N
XLogP4.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 131944928
4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867737
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide
CID 59558048
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
4-(cyclopropylmethoxy)-N-[4-(dimethylamino)-3-methylphenyl]benzamide
CID 60571631
N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(oxan-2-ylmethoxy)benzamide
CID 59558029
ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 142608117

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide (CID 59030498) is 4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide is CN1CCC2(CCN(c3ccc(NC(=O)c4ccc(OCC5CC5)cc4)cc3)C2)C1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide?
The InChIKey is XLVCYFVTBONUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-27-14-12-25(17-27)13-15-28(18-25)22-8-6-21(7-9-22)26-24(29)20-4-10-23(11-5-20)30-16-19-2-3-19/h4-11,19H,2-3,12-18H2,1H3,(H,26,29).
What are the key properties of 4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide?
4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide has a molecular weight of 405.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide is sourced from PubChem (CID 59030498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).