4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C23H34N4O3 — CID 91919901

IUPAC4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)NC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C23H34N4O3/c1-17(2)24-22(29)27(19-8-9-19)20-10-15-30-23(16-20)11-13-26(14-12-23)21(28)25-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyQBLUGNAABZHYHZ-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.81
Rot. Bonds4

About 4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91919901) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91919901
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)NC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C23H34N4O3/c1-17(2)24-22(29)27(19-8-9-19)20-10-15-30-23(16-20)11-13-26(14-12-23)21(28)25-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyQBLUGNAABZHYHZ-UHFFFAOYSA-N
XLogP3.81
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087
1-cyclopropyl-1-[9-[2-(4-methylphenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-propan-2-ylurea
CID 91909292
4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91917956
4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919151
4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide
CID 70742226
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
(4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 125461496
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid
CID 99728106
1-cyclopropyl-3-ethyl-1-[9-[2-(4-fluorophenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 91909261
N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
CID 91919875
N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 125026764

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91919901) is 4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is CC(C)NC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)Nc3ccccc3)CC2)C1.
What is the InChIKey of 4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is QBLUGNAABZHYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-17(2)24-22(29)27(19-8-9-19)20-10-15-30-23(16-20)11-13-26(14-12-23)21(28)25-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91919901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).