benzyl N-[methyl(propyl)amino]carbamate

C12H18N2O2 — CID 138546931

IUPACbenzyl N-[methyl(propyl)amino]carbamate
SMILESCCCN(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-3-9-14(2)13-12(15)16-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,13,15)
InChIKeyPPRCRGXARAKZAI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.17
Rot. Bonds5

About benzyl N-[methyl(propyl)amino]carbamate

benzyl N-[methyl(propyl)amino]carbamate (PubChem CID 138546931) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is benzyl N-[methyl(propyl)amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[methyl(propyl)amino]carbamate
PubChem CID138546931
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namebenzyl N-[methyl(propyl)amino]carbamate
SMILESCCCN(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-3-9-14(2)13-12(15)16-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,13,15)
InChIKeyPPRCRGXARAKZAI-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(N-phenylanilino)carbamate
CID 71360694
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[methyl(6-oxoheptanoyl)amino]carbamate
CID 166334227
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-(1-aminobutyl)carbamate
CID 3840640
benzyl N-[3-(diethylamino)propyl]carbamate
CID 127503567
benzyl N-chlorocarbamate
CID 2755304
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[methyl(propyl)amino]carbamate?
The IUPAC name of benzyl N-[methyl(propyl)amino]carbamate (CID 138546931) is benzyl N-[methyl(propyl)amino]carbamate.
What is the SMILES notation for benzyl N-[methyl(propyl)amino]carbamate?
The canonical SMILES for benzyl N-[methyl(propyl)amino]carbamate is CCCN(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[methyl(propyl)amino]carbamate?
The InChIKey is PPRCRGXARAKZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-9-14(2)13-12(15)16-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,13,15).
What are the key properties of benzyl N-[methyl(propyl)amino]carbamate?
benzyl N-[methyl(propyl)amino]carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[methyl(propyl)amino]carbamate is sourced from PubChem (CID 138546931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).