(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide

C19H25N3O4 — CID 52513400

IUPAC(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-12(2)26-15-8-6-14(7-9-15)20-16(23)13(3)22-17(24)19(21-18(22)25)10-4-5-11-19/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,25)/t13-/m0/s1
InChIKeyIQLMECJRZQFWMI-ZDUSSCGKSA-N
MW359.43 g/mol
LogP2.67
Rot. Bonds5

About (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide

(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 52513400) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID52513400
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-12(2)26-15-8-6-14(7-9-15)20-16(23)13(3)22-17(24)19(21-18(22)25)10-4-5-11-19/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,25)/t13-/m0/s1
InChIKeyIQLMECJRZQFWMI-ZDUSSCGKSA-N
XLogP2.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9329114
(2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
CID 2373539
2-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]phenyl]acetic acid
CID 119353211
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylpropanamide
CID 112775763
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 2430041
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55308746
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 97251844
N-[4-(difluoromethoxy)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 86932277
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide
CID 56522565
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 95158015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide (CID 52513400) is (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is IQLMECJRZQFWMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12(2)26-15-8-6-14(7-9-15)20-16(23)13(3)22-17(24)19(21-18(22)25)10-4-5-11-19/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,25)/t13-/m0/s1.
What are the key properties of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 52513400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).