N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide

C23H35N3O — CID 72891317

IUPACN-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide
SMILESCCN1CC(c2ccccc2)CC2(CCN(CCC(=O)NC3CC3)CC2)C1
InChIInChI=1S/C23H35N3O/c1-2-25-17-20(19-6-4-3-5-7-19)16-23(18-25)11-14-26(15-12-23)13-10-22(27)24-21-8-9-21/h3-7,20-21H,2,8-18H2,1H3,(H,24,27)
InChIKeyNHBKAHKWJNZLRE-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.25
Rot. Bonds6

About N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide

N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide (PubChem CID 72891317) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide
PubChem CID72891317
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC NameN-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide
SMILESCCN1CC(c2ccccc2)CC2(CCN(CCC(=O)NC3CC3)CC2)C1
InChIInChI=1S/C23H35N3O/c1-2-25-17-20(19-6-4-3-5-7-19)16-23(18-25)11-14-26(15-12-23)13-10-22(27)24-21-8-9-21/h3-7,20-21H,2,8-18H2,1H3,(H,24,27)
InChIKeyNHBKAHKWJNZLRE-UHFFFAOYSA-N
XLogP3.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
CID 72859950
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97149228
5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide
CID 72896512
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
1-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97118763
(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97130354
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97128654
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1H-pyrrol-2-yl)methanone
CID 72881187
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-hydroxyphenyl)methanone
CID 72920228
N-cyclopropyl-2-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide
CID 72896129

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide (CID 72891317) is N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide is CCN1CC(c2ccccc2)CC2(CCN(CCC(=O)NC3CC3)CC2)C1.
What is the InChIKey of N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide?
The InChIKey is NHBKAHKWJNZLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-2-25-17-20(19-6-4-3-5-7-19)16-23(18-25)11-14-26(15-12-23)13-10-22(27)24-21-8-9-21/h3-7,20-21H,2,8-18H2,1H3,(H,24,27).
What are the key properties of N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide?
N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide has a molecular weight of 369.55 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide is sourced from PubChem (CID 72891317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).