N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

C22H29N3O3 — CID 55478012

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESCc1ccc(C(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-15-6-8-16(9-7-15)19(17-10-11-17)23-18(26)5-4-14-25-20(27)22(24-21(25)28)12-2-3-13-22/h6-9,17,19H,2-5,10-14H2,1H3,(H,23,26)(H,24,28)
InChIKeyAHWWLKXEVOJMAI-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.21
Rot. Bonds7

About N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (PubChem CID 55478012) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
PubChem CID55478012
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESCc1ccc(C(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-15-6-8-16(9-7-15)19(17-10-11-17)23-18(26)5-4-14-25-20(27)22(24-21(25)28)12-2-3-13-22/h6-9,17,19H,2-5,10-14H2,1H3,(H,23,26)(H,24,28)
InChIKeyAHWWLKXEVOJMAI-UHFFFAOYSA-N
XLogP3.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150830
N-[(R)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150834
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 51951531
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide
CID 55477930
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 134043349
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 9396548
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 41144668
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N'-[2-(4-methylanilino)acetyl]butanehydrazide
CID 55377513
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46975301
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 51214574
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 9396712
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]butanamide
CID 8756915

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (CID 55478012) is N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is Cc1ccc(C(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The InChIKey is AHWWLKXEVOJMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-6-8-16(9-7-15)19(17-10-11-17)23-18(26)5-4-14-25-20(27)22(24-21(25)28)12-2-3-13-22/h6-9,17,19H,2-5,10-14H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide has a molecular weight of 383.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is sourced from PubChem (CID 55478012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).