N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

C21H28N4O4 — CID 2583467

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c(C)c1
InChIInChI=1S/C21H28N4O4/c1-14-8-9-16(15(2)12-14)22-19(28)23-17(26)13-25-18(27)21(24-20(25)29)10-6-4-3-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,24,29)(H2,22,23,26,28)
InChIKeySOMQQRGYMFVVDX-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.99
Rot. Bonds3

About N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (PubChem CID 2583467) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
PubChem CID2583467
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c(C)c1
InChIInChI=1S/C21H28N4O4/c1-14-8-9-16(15(2)12-14)22-19(28)23-17(26)13-25-18(27)21(24-20(25)29)10-6-4-3-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,24,29)(H2,22,23,26,28)
InChIKeySOMQQRGYMFVVDX-UHFFFAOYSA-N
XLogP2.99
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (CID 2583467) is N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is Cc1ccc(NC(=O)NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The InChIKey is SOMQQRGYMFVVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14-8-9-16(15(2)12-14)22-19(28)23-17(26)13-25-18(27)21(24-20(25)29)10-6-4-3-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,24,29)(H2,22,23,26,28).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is sourced from PubChem (CID 2583467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).