N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C25H33N3O — CID 59686199

IUPACN-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC2(CC1)CN(C(C)C)C2c1ccccc1
InChIInChI=1S/C25H33N3O/c1-4-20-10-8-9-13-22(20)26-24(29)27-16-14-25(15-17-27)18-28(19(2)3)23(25)21-11-6-5-7-12-21/h5-13,19,23H,4,14-18H2,1-3H3,(H,26,29)
InChIKeyFIMMNLDUXFAWRI-UHFFFAOYSA-N
MW391.56 g/mol
LogP5.33
Rot. Bonds4

About N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 59686199) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID59686199
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC NameN-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC2(CC1)CN(C(C)C)C2c1ccccc1
InChIInChI=1S/C25H33N3O/c1-4-20-10-8-9-13-22(20)26-24(29)27-16-14-25(15-17-27)18-28(19(2)3)23(25)21-11-6-5-7-12-21/h5-13,19,23H,4,14-18H2,1-3H3,(H,26,29)
InChIKeyFIMMNLDUXFAWRI-UHFFFAOYSA-N
XLogP5.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24829774
(3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 164639376
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 164635653
3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24829606
3-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24899767
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24898115
methyl (2S,3S)-2-ethyl-3-methyl-2-[[3-(4-phenylphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]pentanoate
CID 143643957
3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24897253
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868
2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682828
1-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone
CID 143644106

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 59686199) is N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CCc1ccccc1NC(=O)N1CCC2(CC1)CN(C(C)C)C2c1ccccc1.
What is the InChIKey of N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is FIMMNLDUXFAWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-4-20-10-8-9-13-22(20)26-24(29)27-16-14-25(15-17-27)18-28(19(2)3)23(25)21-11-6-5-7-12-21/h5-13,19,23H,4,14-18H2,1-3H3,(H,26,29).
What are the key properties of N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
N-(2-ethylphenyl)-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 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 59686199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).