benzyl N-undec-1-en-4-ylcarbamate

C19H29NO2 — CID 10924709

IUPACbenzyl N-undec-1-en-4-ylcarbamate
SMILESC=CCC(CCCCCCC)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H29NO2/c1-3-5-6-7-11-15-18(12-4-2)20-19(21)22-16-17-13-9-8-10-14-17/h4,8-10,13-14,18H,2-3,5-7,11-12,15-16H2,1H3,(H,20,21)
InChIKeyDDJXEPSLDOYUSE-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.22
Rot. Bonds11

About benzyl N-undec-1-en-4-ylcarbamate

benzyl N-undec-1-en-4-ylcarbamate (PubChem CID 10924709) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is benzyl N-undec-1-en-4-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-undec-1-en-4-ylcarbamate
PubChem CID10924709
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Namebenzyl N-undec-1-en-4-ylcarbamate
SMILESC=CCC(CCCCCCC)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H29NO2/c1-3-5-6-7-11-15-18(12-4-2)20-19(21)22-16-17-13-9-8-10-14-17/h4,8-10,13-14,18H,2-3,5-7,11-12,15-16H2,1H3,(H,20,21)
InChIKeyDDJXEPSLDOYUSE-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(1-hydroxyoctan-3-yl)carbamate
CID 121391580
benzyl N-(1-phenylhex-5-en-3-yl)carbamate
CID 11120434
heptyl 2-(phenylmethoxycarbonylamino)pent-4-enoate
CID 91699712
ethyl (5R)-3-oxo-5-(phenylmethoxycarbonylamino)dodecanoate
CID 102081203
benzyl N-[(2S,3R)-2-methyl-1-oxodecan-3-yl]carbamate
CID 10757993
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
benzyl N-[1-(prop-2-enylamino)pent-4-en-2-yl]carbamate
CID 155622758
benzyl N-[(2S,3S)-1,3-dihydroxytridecan-2-yl]carbamate
CID 140979955
benzyl N-[(4S)-5-oxoundecan-4-yl]carbamate
CID 10781916
benzyl N-[(3R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 91609031
benzyl N-[(E)-heptadec-5-en-2-yl]carbamate
CID 102196542

Frequently Asked Questions

What is the IUPAC name of benzyl N-undec-1-en-4-ylcarbamate?
The IUPAC name of benzyl N-undec-1-en-4-ylcarbamate (CID 10924709) is benzyl N-undec-1-en-4-ylcarbamate.
What is the SMILES notation for benzyl N-undec-1-en-4-ylcarbamate?
The canonical SMILES for benzyl N-undec-1-en-4-ylcarbamate is C=CCC(CCCCCCC)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-undec-1-en-4-ylcarbamate?
The InChIKey is DDJXEPSLDOYUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-5-6-7-11-15-18(12-4-2)20-19(21)22-16-17-13-9-8-10-14-17/h4,8-10,13-14,18H,2-3,5-7,11-12,15-16H2,1H3,(H,20,21).
What are the key properties of benzyl N-undec-1-en-4-ylcarbamate?
benzyl N-undec-1-en-4-ylcarbamate has a molecular weight of 303.45 g/mol, XLogP of 5.22, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-undec-1-en-4-ylcarbamate is sourced from PubChem (CID 10924709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).