N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide

C15H26ClN3O3 — CID 174256318

IUPACN-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide
SMILESCCC(C)C(=O)N(Cl)C(C)(C)CC1(C)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C15H26ClN3O3/c1-8-10(2)11(20)19(16)14(3,4)9-15(5)12(21)17(6)13(22)18(15)7/h10H,8-9H2,1-7H3
InChIKeyHNMCQUVHAGVBMA-UHFFFAOYSA-N
MW331.84 g/mol
LogP2.47
Rot. Bonds5

About N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide

N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide (PubChem CID 174256318) has the molecular formula C15H26ClN3O3 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide.

Molecular Properties

Compound NameN-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide
PubChem CID174256318
Molecular FormulaC15H26ClN3O3
Molecular Weight331.84 g/mol
Exact Mass331.17
IUPAC NameN-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide
SMILESCCC(C)C(=O)N(Cl)C(C)(C)CC1(C)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C15H26ClN3O3/c1-8-10(2)11(20)19(16)14(3,4)9-15(5)12(21)17(6)13(22)18(15)7/h10H,8-9H2,1-7H3
InChIKeyHNMCQUVHAGVBMA-UHFFFAOYSA-N
XLogP2.47
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[1-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]-2-methylbutanamide
CID 177240091
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
(2R)-N-hydroxy-N,2-dimethylbutanamide
CID 171076136
N-ethyl-N,2-dimethylbutanamide
CID 89343843
N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide
CID 58434930
2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid
CID 54221869
1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166054973
5-(2-bromoprop-2-enyl)-5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 91749165
2-methylbutanoate
CID 91073357
N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863
N,2-dimethyl-N-propylbutanamide
CID 89368936
(3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt
CID 144521521

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide?
The IUPAC name of N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide (CID 174256318) is N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide.
What is the SMILES notation for N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide?
The canonical SMILES for N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide is CCC(C)C(=O)N(Cl)C(C)(C)CC1(C)C(=O)N(C)C(=O)N1C.
What is the InChIKey of N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide?
The InChIKey is HNMCQUVHAGVBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O3/c1-8-10(2)11(20)19(16)14(3,4)9-15(5)12(21)17(6)13(22)18(15)7/h10H,8-9H2,1-7H3.
What are the key properties of N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide?
N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide has a molecular weight of 331.84 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-methyl-N-[2-methyl-1-(1,3,4-trimethyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]butanamide is sourced from PubChem (CID 174256318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).