N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate

C14H20NO3- — CID 57368596

IUPACN-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate
SMILESCCC(C)C(CO)N(Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C14H21NO3/c1-3-11(2)13(10-16)15(14(17)18)9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/p-1
InChIKeySCMXKFUXJBPYFB-UHFFFAOYSA-M
MW250.32 g/mol
LogP1.24
Rot. Bonds6

About N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate

N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate (PubChem CID 57368596) has the molecular formula C14H20NO3- and a molecular weight of 250.32 g/mol. Its IUPAC name is N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate.

Molecular Properties

Compound NameN-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate
PubChem CID57368596
Molecular FormulaC14H20NO3-
Molecular Weight250.32 g/mol
Exact Mass250.14
IUPAC NameN-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate
SMILESCCC(C)C(CO)N(Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C14H21NO3/c1-3-11(2)13(10-16)15(14(17)18)9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/p-1
InChIKeySCMXKFUXJBPYFB-UHFFFAOYSA-M
XLogP1.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate
CID 132961576
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate
CID 79345421
N-benzyl-N-(1-ethylsulfonyl-2,2-difluoroethyl)carbamate
CID 57361505
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-[(2S)-1-hydroxybutan-2-yl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 75477336
N-benzyl-N-[(2S)-1-oxo-1-(pyrrol-1-ylamino)propan-2-yl]carbamate
CID 22849591
benzyl 3,4-dimethylhexanoate
CID 123356915
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217403

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate?
The IUPAC name of N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate (CID 57368596) is N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate.
What is the SMILES notation for N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate?
The canonical SMILES for N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate is CCC(C)C(CO)N(Cc1ccccc1)C(=O)[O-].
What is the InChIKey of N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate?
The InChIKey is SCMXKFUXJBPYFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H21NO3/c1-3-11(2)13(10-16)15(14(17)18)9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/p-1.
What are the key properties of N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate?
N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate has a molecular weight of 250.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate is sourced from PubChem (CID 57368596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).