sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide

C18H21N2NaO — CID 159131292

IUPACsodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide
SMILESCc1cccc(C)c1[N-]C(=O)N(c1ccccc1)C(C)C.[Na+]
InChIInChI=1S/C18H22N2O.Na/c1-13(2)20(16-11-6-5-7-12-16)18(21)19-17-14(3)9-8-10-15(17)4;/h5-13H,1-4H3,(H,19,21);/q;+1/p-1
InChIKeyNBOUDCWMXKXBEJ-UHFFFAOYSA-M
MW304.37 g/mol
LogP2.35
Rot. Bonds3

About sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide

sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide (PubChem CID 159131292) has the molecular formula C18H21N2NaO and a molecular weight of 304.37 g/mol. Its IUPAC name is sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide.

Molecular Properties

Compound Namesodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide
PubChem CID159131292
Molecular FormulaC18H21N2NaO
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Namesodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide
SMILESCc1cccc(C)c1[N-]C(=O)N(c1ccccc1)C(C)C.[Na+]
InChIInChI=1S/C18H22N2O.Na/c1-13(2)20(16-11-6-5-7-12-16)18(21)19-17-14(3)9-8-10-15(17)4;/h5-13H,1-4H3,(H,19,21);/q;+1/p-1
InChIKeyNBOUDCWMXKXBEJ-UHFFFAOYSA-M
XLogP2.35
TPSA34.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea
CID 142476554
3-hydroxy-1-phenyl-1-propan-2-ylurea
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propan-2-yl N-phenyl-N-propan-2-ylcarbamate
CID 71384721
N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate
CID 57352336
(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea
CID 3539470
3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
CID 2242088
N'-phenyl-N,N'-di(propan-2-yl)propanediamide
CID 71028151
N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide
CID 3657439
propyl N-phenyl-N-propan-2-ylcarbamate
CID 71384708
(2S)-2-(N-acetylanilino)propanoic acid
CID 821173
2-morpholin-4-ium-4-yl-N-phenyl-N-propan-2-ylacetamide
CID 2303532

Frequently Asked Questions

What is the IUPAC name of sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide?
The IUPAC name of sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide (CID 159131292) is sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide.
What is the SMILES notation for sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide?
The canonical SMILES for sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide is Cc1cccc(C)c1[N-]C(=O)N(c1ccccc1)C(C)C.[Na+].
What is the InChIKey of sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide?
The InChIKey is NBOUDCWMXKXBEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H22N2O.Na/c1-13(2)20(16-11-6-5-7-12-16)18(21)19-17-14(3)9-8-10-15(17)4;/h5-13H,1-4H3,(H,19,21);/q;+1/p-1.
What are the key properties of sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide?
sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide has a molecular weight of 304.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide is sourced from PubChem (CID 159131292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).