prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid

C16H21NO2 — CID 67918073

IUPACprop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid
SMILESC=C(C)c1cccc(C(C)(C)N(C(=C)C)C(=O)O)c1
InChIInChI=1S/C16H21NO2/c1-11(2)13-8-7-9-14(10-13)16(5,6)17(12(3)4)15(18)19/h7-10H,1,3H2,2,4-6H3,(H,18,19)
InChIKeyULXULKZJTZJTTA-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.47
Rot. Bonds4

About prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid

prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid (PubChem CID 67918073) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Nameprop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid
PubChem CID67918073
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nameprop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid
SMILESC=C(C)c1cccc(C(C)(C)N(C(=C)C)C(=O)O)c1
InChIInChI=1S/C16H21NO2/c1-11(2)13-8-7-9-14(10-13)16(5,6)17(12(3)4)15(18)19/h7-10H,1,3H2,2,4-6H3,(H,18,19)
InChIKeyULXULKZJTZJTTA-UHFFFAOYSA-N
XLogP4.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
CID 134569595
2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid
CID 54099943
1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene
CID 58759055
acetic acid;3-prop-1-en-2-ylphenol
CID 71365863
2,2-bis(3-prop-1-en-2-ylphenyl)hexanedioic acid
CID 21425672
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene;isocyanic acid
CID 87222174
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473
1-(4-tert-butylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 71462576
1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
CID 175999840
4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 110364709
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyrimidin-2-ylurea
CID 2312275

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid?
The IUPAC name of prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid (CID 67918073) is prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid.
What is the SMILES notation for prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid?
The canonical SMILES for prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid is C=C(C)c1cccc(C(C)(C)N(C(=C)C)C(=O)O)c1.
What is the InChIKey of prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid?
The InChIKey is ULXULKZJTZJTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(2)13-8-7-9-14(10-13)16(5,6)17(12(3)4)15(18)19/h7-10H,1,3H2,2,4-6H3,(H,18,19).
What are the key properties of prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid?
prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid has a molecular weight of 259.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid is sourced from PubChem (CID 67918073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).