N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide

C17H25N3O3 — CID 95258985

IUPACN,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccccc1NC(=O)N(C)C[C@H]1CCCO1
InChIInChI=1S/C17H25N3O3/c1-19(2)16(21)11-13-7-4-5-9-15(13)18-17(22)20(3)12-14-8-6-10-23-14/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,18,22)/t14-/m1/s1
InChIKeyWVCZFWIVZYSQGH-CQSZACIVSA-N
MW319.41 g/mol
LogP1.96
Rot. Bonds5

About N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide

N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide (PubChem CID 95258985) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide
PubChem CID95258985
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccccc1NC(=O)N(C)C[C@H]1CCCO1
InChIInChI=1S/C17H25N3O3/c1-19(2)16(21)11-13-7-4-5-9-15(13)18-17(22)20(3)12-14-8-6-10-23-14/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,18,22)/t14-/m1/s1
InChIKeyWVCZFWIVZYSQGH-CQSZACIVSA-N
XLogP1.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[cyclopropylmethyl(oxolan-2-ylmethyl)carbamoyl]amino]phenyl]-N,N-dimethylpropanamide
CID 74251491
2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733181
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95597649
5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61435976
3-(2-bromo-4-methylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51094112
1-methyl-3-(2-methyl-3-pyrrol-1-ylphenyl)-1-[[(2S)-oxan-2-yl]methyl]urea
CID 125174332
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea
CID 125165219
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
2-[2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577453
3-(4-bromo-2,6-dimethylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51108212

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide (CID 95258985) is N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide is CN(C)C(=O)Cc1ccccc1NC(=O)N(C)C[C@H]1CCCO1.
What is the InChIKey of N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide?
The InChIKey is WVCZFWIVZYSQGH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-19(2)16(21)11-13-7-4-5-9-15(13)18-17(22)20(3)12-14-8-6-10-23-14/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,18,22)/t14-/m1/s1.
What are the key properties of N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide?
N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide is sourced from PubChem (CID 95258985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).