benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine

C19H24N2O4 — CID 175696861

IUPACbenzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
SMILESCN(C)C.O=C(O)N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H15NO4.C3H9N/c18-15(19)17(11-13-7-3-1-4-8-13)16(20)21-12-14-9-5-2-6-10-14;1-4(2)3/h1-10H,11-12H2,(H,18,19);1-3H3
InChIKeyNZUOOLJVFWIGMC-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.68
Rot. Bonds4

About benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine

benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine (PubChem CID 175696861) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine.

Molecular Properties

Compound Namebenzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
PubChem CID175696861
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namebenzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
SMILESCN(C)C.O=C(O)N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H15NO4.C3H9N/c18-15(19)17(11-13-7-3-1-4-8-13)16(20)21-12-14-9-5-2-6-10-14;1-4(2)3/h1-10H,11-12H2,(H,18,19);1-3H3
InChIKeyNZUOOLJVFWIGMC-UHFFFAOYSA-N
XLogP3.68
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N-amino-N-benzylcarbamate;hydrochloride
CID 172789622
benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 130156986
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 118284724
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
benzyl N-acetyl-N-aminocarbamate
CID 67604274
[methyl(phenylmethoxycarbonyl)carbamoyl] acetate
CID 166811069
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447

Frequently Asked Questions

What is the IUPAC name of benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine?
The IUPAC name of benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine (CID 175696861) is benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine.
What is the SMILES notation for benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine?
The canonical SMILES for benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine is CN(C)C.O=C(O)N(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine?
The InChIKey is NZUOOLJVFWIGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4.C3H9N/c18-15(19)17(11-13-7-3-1-4-8-13)16(20)21-12-14-9-5-2-6-10-14;1-4(2)3/h1-10H,11-12H2,(H,18,19);1-3H3.
What are the key properties of benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine?
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine has a molecular weight of 344.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine is sourced from PubChem (CID 175696861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).