[(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid

C22H28N2O4 — CID 118294483

IUPAC[(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid
SMILESCC(C)(CCc1ccccc1)C[C@@H](NC(=O)O)C(NC(=O)O)c1ccccc1
InChIInChI=1S/C22H28N2O4/c1-22(2,14-13-16-9-5-3-6-10-16)15-18(23-20(25)26)19(24-21(27)28)17-11-7-4-8-12-17/h3-12,18-19,23-24H,13-15H2,1-2H3,(H,25,26)(H,27,28)/t18-,19?/m1/s1
InChIKeyHWKDMNLKVFFMAM-MRTLOADZSA-N
MW384.48 g/mol
LogP4.68
Rot. Bonds9

About [(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid

[(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid (PubChem CID 118294483) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is [(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid
PubChem CID118294483
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid
SMILESCC(C)(CCc1ccccc1)C[C@@H](NC(=O)O)C(NC(=O)O)c1ccccc1
InChIInChI=1S/C22H28N2O4/c1-22(2,14-13-16-9-5-3-6-10-16)15-18(23-20(25)26)19(24-21(27)28)17-11-7-4-8-12-17/h3-12,18-19,23-24H,13-15H2,1-2H3,(H,25,26)(H,27,28)/t18-,19?/m1/s1
InChIKeyHWKDMNLKVFFMAM-MRTLOADZSA-N
XLogP4.68
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

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[(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid
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2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
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2,2-dimethyl-4-phenylbutanoyl chloride
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CID 65308891
7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one
CID 162419681
(2-methyl-4-phenylbutan-2-yl) N-[(2S)-1-phenyl-2,3-bis(phenylmethoxy)propyl]carbamate
CID 90783516
[(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid
CID 141462729
[3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium
CID 69297065
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid (CID 118294483) is [(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid is CC(C)(CCc1ccccc1)C[C@@H](NC(=O)O)C(NC(=O)O)c1ccccc1.
What is the InChIKey of [(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid?
The InChIKey is HWKDMNLKVFFMAM-MRTLOADZSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-22(2,14-13-16-9-5-3-6-10-16)15-18(23-20(25)26)19(24-21(27)28)17-11-7-4-8-12-17/h3-12,18-19,23-24H,13-15H2,1-2H3,(H,25,26)(H,27,28)/t18-,19?/m1/s1.
What are the key properties of [(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid?
[(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid has a molecular weight of 384.48 g/mol, XLogP of 4.68, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid is sourced from PubChem (CID 118294483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).