benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate

C14H18N2O3 — CID 18380110

IUPACbenzyl N-(4-carbamoylpent-4-en-2-yl)carbamate
SMILESC=C(CC(C)NC(=O)OCc1ccccc1)C(N)=O
InChIInChI=1S/C14H18N2O3/c1-10(13(15)17)8-11(2)16-14(18)19-9-12-6-4-3-5-7-12/h3-7,11H,1,8-9H2,2H3,(H2,15,17)(H,16,18)
InChIKeyUKJOHWPUJTWYCR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.73
Rot. Bonds6

About benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate

benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate (PubChem CID 18380110) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-carbamoylpent-4-en-2-yl)carbamate
PubChem CID18380110
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namebenzyl N-(4-carbamoylpent-4-en-2-yl)carbamate
SMILESC=C(CC(C)NC(=O)OCc1ccccc1)C(N)=O
InChIInChI=1S/C14H18N2O3/c1-10(13(15)17)8-11(2)16-14(18)19-9-12-6-4-3-5-7-12/h3-7,11H,1,8-9H2,2H3,(H2,15,17)(H,16,18)
InChIKeyUKJOHWPUJTWYCR-UHFFFAOYSA-N
XLogP1.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-oxo-5-(phenylmethoxycarbonylamino)hexanoate
CID 155487185
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate
CID 102063559
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate
CID 54429154
methyl (4R,5S)-4-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)hexanoate
CID 10804650
benzyl N-[(2S)-butan-2-yl]carbamate;(2S)-butan-2-amine;deuterium monohydride
CID 160578481
benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
CID 146517395
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate?
The IUPAC name of benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate (CID 18380110) is benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate.
What is the SMILES notation for benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate?
The canonical SMILES for benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate is C=C(CC(C)NC(=O)OCc1ccccc1)C(N)=O.
What is the InChIKey of benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate?
The InChIKey is UKJOHWPUJTWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(13(15)17)8-11(2)16-14(18)19-9-12-6-4-3-5-7-12/h3-7,11H,1,8-9H2,2H3,(H2,15,17)(H,16,18).
What are the key properties of benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate?
benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate has a molecular weight of 262.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate is sourced from PubChem (CID 18380110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).