(3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide

C21H33N3O — CID 95862505

IUPAC(3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cccc(CN(C(=O)[C@@H]2CC3(CCNCC3)CN2C)C(C)C)c1
InChIInChI=1S/C21H33N3O/c1-16(2)24(14-18-7-5-6-17(3)12-18)20(25)19-13-21(15-23(19)4)8-10-22-11-9-21/h5-7,12,16,19,22H,8-11,13-15H2,1-4H3/t19-/m0/s1
InChIKeyZLOLTTUZGVGVLQ-IBGZPJMESA-N
MW343.52 g/mol
LogP2.81
Rot. Bonds4

About (3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95862505) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is (3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95862505
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC Name(3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cccc(CN(C(=O)[C@@H]2CC3(CCNCC3)CN2C)C(C)C)c1
InChIInChI=1S/C21H33N3O/c1-16(2)24(14-18-7-5-6-17(3)12-18)20(25)19-13-21(15-23(19)4)8-10-22-11-9-21/h5-7,12,16,19,22H,8-11,13-15H2,1-4H3/t19-/m0/s1
InChIKeyZLOLTTUZGVGVLQ-IBGZPJMESA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95862505) is (3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide is Cc1cccc(CN(C(=O)[C@@H]2CC3(CCNCC3)CN2C)C(C)C)c1.
What is the InChIKey of (3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is ZLOLTTUZGVGVLQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H33N3O/c1-16(2)24(14-18-7-5-6-17(3)12-18)20(25)19-13-21(15-23(19)4)8-10-22-11-9-21/h5-7,12,16,19,22H,8-11,13-15H2,1-4H3/t19-/m0/s1.
What are the key properties of (3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 343.52 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95862505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).