benzyl N-[3-(diethylamino)propyl]carbamate

C15H24N2O2 — CID 127503567

IUPACbenzyl N-[3-(diethylamino)propyl]carbamate
SMILESCCN(CC)CCCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-17(4-2)12-8-11-16-15(18)19-13-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,16,18)
InChIKeyVKGVMBJVVLEWKL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.64
Rot. Bonds8

About benzyl N-[3-(diethylamino)propyl]carbamate

benzyl N-[3-(diethylamino)propyl]carbamate (PubChem CID 127503567) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is benzyl N-[3-(diethylamino)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(diethylamino)propyl]carbamate
PubChem CID127503567
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namebenzyl N-[3-(diethylamino)propyl]carbamate
SMILESCCN(CC)CCCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-17(4-2)12-8-11-16-15(18)19-13-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,16,18)
InChIKeyVKGVMBJVVLEWKL-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]carbamate
CID 23625344
benzyl N-[3-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propyl]carbamate
CID 171775368
benzyl N-[6-[ethyl(pyridin-4-ylmethyl)amino]hexyl]carbamate
CID 23625663
benzyl N-[(2S)-1-[4-(diethylamino)butylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 71211470
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate
CID 23510764
benzyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-(2,2,2-trifluoroethyl)amino]propyl]carbamate
CID 156823818
benzyl N-[4-[benzyl-[3-(phenoxycarbonyl(15N)amino)propyl](15N)amino](1,4-13C2)butyl]carbamate
CID 10696527
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-(8-bromooctyl)carbamate
CID 86200547
cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate
CID 163963342

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(diethylamino)propyl]carbamate?
The IUPAC name of benzyl N-[3-(diethylamino)propyl]carbamate (CID 127503567) is benzyl N-[3-(diethylamino)propyl]carbamate.
What is the SMILES notation for benzyl N-[3-(diethylamino)propyl]carbamate?
The canonical SMILES for benzyl N-[3-(diethylamino)propyl]carbamate is CCN(CC)CCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(diethylamino)propyl]carbamate?
The InChIKey is VKGVMBJVVLEWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-17(4-2)12-8-11-16-15(18)19-13-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,16,18).
What are the key properties of benzyl N-[3-(diethylamino)propyl]carbamate?
benzyl N-[3-(diethylamino)propyl]carbamate has a molecular weight of 264.37 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(diethylamino)propyl]carbamate is sourced from PubChem (CID 127503567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).