N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide

C22H26N2O — CID 167785037

IUPACN-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)Cc1ccccc1)C1CC12CCNC2
InChIInChI=1S/C22H26N2O/c25-21(20-15-22(20)11-12-23-16-22)24-19(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20,23H,11-16H2,(H,24,25)
InChIKeyJADNSGVYDZJFAK-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.96
Rot. Bonds6

About N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide

N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 167785037) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID167785037
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)Cc1ccccc1)C1CC12CCNC2
InChIInChI=1S/C22H26N2O/c25-21(20-15-22(20)11-12-23-16-22)24-19(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20,23H,11-16H2,(H,24,25)
InChIKeyJADNSGVYDZJFAK-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492624
N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 121229553
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
CID 119197362
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one
CID 116573115
(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
CID 122111245
N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide
CID 166220680
benzyl 6-azaspiro[2.5]octane-2-carboxylate
CID 163299046
N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 167891823
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 167785037) is N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NC(Cc1ccccc1)Cc1ccccc1)C1CC12CCNC2.
What is the InChIKey of N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is JADNSGVYDZJFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-21(20-15-22(20)11-12-23-16-22)24-19(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20,23H,11-16H2,(H,24,25).
What are the key properties of N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide?
N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 167785037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).