(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide

C20H31N3O — CID 97149228

IUPAC(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C20H31N3O/c1-4-22-15-18(17-8-6-5-7-9-17)14-20(16-22)10-12-23(13-11-20)19(24)21(2)3/h5-9,18H,4,10-16H2,1-3H3/t18-/m1/s1
InChIKeyZIOZLSBUAXGFQP-GOSISDBHSA-N
MW329.49 g/mol
LogP3.26
Rot. Bonds2

About (4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide

(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 97149228) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is (4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID97149228
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C20H31N3O/c1-4-22-15-18(17-8-6-5-7-9-17)14-20(16-22)10-12-23(13-11-20)19(24)21(2)3/h5-9,18H,4,10-16H2,1-3H3/t18-/m1/s1
InChIKeyZIOZLSBUAXGFQP-GOSISDBHSA-N
XLogP3.26
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1H-pyrrol-2-yl)methanone
CID 72881187
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97128654
1-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97118763
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-hydroxyphenyl)methanone
CID 72920228
5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide
CID 72896512
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
CID 72864845
[2-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
CID 72859950
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxyphenyl)methanone
CID 97156118
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97155661
(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97130354

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of (4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide (CID 97149228) is (4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for (4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for (4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide is CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)N(C)C)CC2)C1.
What is the InChIKey of (4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is ZIOZLSBUAXGFQP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O/c1-4-22-15-18(17-8-6-5-7-9-17)14-20(16-22)10-12-23(13-11-20)19(24)21(2)3/h5-9,18H,4,10-16H2,1-3H3/t18-/m1/s1.
What are the key properties of (4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 97149228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).