(3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C25H33N3O — CID 164639376

IUPAC(3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)CN(C(C)C)[C@@H]3c2ccccc2)cc1
InChIInChI=1S/C25H33N3O/c1-19(2)28-18-25(23(28)22-7-5-4-6-8-22)13-15-27(16-14-25)24(29)26-17-21-11-9-20(3)10-12-21/h4-12,19,23H,13-18H2,1-3H3,(H,26,29)/t23-/m1/s1
InChIKeyBROGTNQXTDHPRE-HSZRJFAPSA-N
MW391.56 g/mol
LogP4.75
Rot. Bonds4

About (3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

(3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 164639376) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is (3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID164639376
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name(3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)CN(C(C)C)[C@@H]3c2ccccc2)cc1
InChIInChI=1S/C25H33N3O/c1-19(2)28-18-25(23(28)22-7-5-4-6-8-22)13-15-27(16-14-25)24(29)26-17-21-11-9-20(3)10-12-21/h4-12,19,23H,13-18H2,1-3H3,(H,26,29)/t23-/m1/s1
InChIKeyBROGTNQXTDHPRE-HSZRJFAPSA-N
XLogP4.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 164639376) is (3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is Cc1ccc(CNC(=O)N2CCC3(CC2)CN(C(C)C)[C@@H]3c2ccccc2)cc1.
What is the InChIKey of (3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is BROGTNQXTDHPRE-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33N3O/c1-19(2)28-18-25(23(28)22-7-5-4-6-8-22)13-15-27(16-14-25)24(29)26-17-21-11-9-20(3)10-12-21/h4-12,19,23H,13-18H2,1-3H3,(H,26,29)/t23-/m1/s1.
What are the key properties of (3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
(3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 164639376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).