N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

C20H29ClN4O3 — CID 119438447

IUPACN-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)c1.Cl
InChIInChI=1S/C20H28N4O3.ClH/c1-3-21-12-15-8-6-9-16(11-15)22-17(25)13-24-18(26)20(23-19(24)27)10-5-4-7-14(20)2;/h6,8-9,11,14,21H,3-5,7,10,12-13H2,1-2H3,(H,22,25)(H,23,27);1H
InChIKeyVWWDZRSVRVGHNW-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.66
Rot. Bonds6

About N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (PubChem CID 119438447) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
PubChem CID119438447
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)c1.Cl
InChIInChI=1S/C20H28N4O3.ClH/c1-3-21-12-15-8-6-9-16(11-15)22-17(25)13-24-18(26)20(23-19(24)27)10-5-4-7-14(20)2;/h6,8-9,11,14,21H,3-5,7,10,12-13H2,1-2H3,(H,22,25)(H,23,27);1H
InChIKeyVWWDZRSVRVGHNW-UHFFFAOYSA-N
XLogP2.66
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 30875277
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 30875280
N-(3-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703426
N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703428
N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 51592951
N-(3-cyanophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703513
N-(3-cyanophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703516
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-3-ylacetamide
CID 4882227
N-(3,5-dimethylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703524
N-(4-iodophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 5103394
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
N-(4-butylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181711

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (CID 119438447) is N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is CCNCc1cccc(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)c1.Cl.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The InChIKey is VWWDZRSVRVGHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3.ClH/c1-3-21-12-15-8-6-9-16(11-15)22-17(25)13-24-18(26)20(23-19(24)27)10-5-4-7-14(20)2;/h6,8-9,11,14,21H,3-5,7,10,12-13H2,1-2H3,(H,22,25)(H,23,27);1H.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119438447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).