tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate

C20H31NO3 — CID 147005725

IUPACtert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate
SMILESCCCCC/C=C\C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H31NO3/c1-5-6-7-8-9-10-17(21-19(23)24-20(2,3)4)15-16-11-13-18(22)14-12-16/h9-14,17,22H,5-8,15H2,1-4H3,(H,21,23)/b10-9-
InChIKeyASXGJODDQNPNPF-KTKRTIGZSA-N
MW333.47 g/mol
LogP4.96
Rot. Bonds8

About tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate

tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate (PubChem CID 147005725) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate
PubChem CID147005725
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Nametert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate
SMILESCCCCC/C=C\C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H31NO3/c1-5-6-7-8-9-10-17(21-19(23)24-20(2,3)4)15-16-11-13-18(22)14-12-16/h9-14,17,22H,5-8,15H2,1-4H3,(H,21,23)/b10-9-
InChIKeyASXGJODDQNPNPF-KTKRTIGZSA-N
XLogP4.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

tert-butyl N-[(2R)-4-diethoxyphosphoryl-4-fluoro-1-(4-hydroxyphenyl)but-3-en-2-yl]carbamate
CID 91063952
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CID 11114823
ethyl (E,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate
CID 11290535
N-[1-(4-propan-2-yloxyphenyl)non-3-en-2-yl]butanamide
CID 74007158
tert-butyl N-[1-[[1-(4-ethylphenyl)-2-oxo-2-(pentylamino)ethyl]-methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
CID 18066537
(2S)-3-(4-hydroxyphenyl)-2-(pentadec-2-enoylamino)propanoic acid
CID 71418043
methyl (E,4S)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 14110855
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
CID 69430453
tert-butyl N-[1-[[2-(butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
CID 18066535
benzyl N-[(E)-tridec-7-en-6-yl]carbamate
CID 102473068
ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 11291018
tert-butyl N-[3-(4-hydroxyphenyl)-1-[[1-(4-hydroxyphenyl)-2-oxo-2-(pentylamino)ethyl]-prop-2-enylamino]-1-oxopropan-2-yl]carbamate
CID 18067617

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate (CID 147005725) is tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate is CCCCC/C=C\C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate?
The InChIKey is ASXGJODDQNPNPF-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H31NO3/c1-5-6-7-8-9-10-17(21-19(23)24-20(2,3)4)15-16-11-13-18(22)14-12-16/h9-14,17,22H,5-8,15H2,1-4H3,(H,21,23)/b10-9-.
What are the key properties of tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate?
tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate has a molecular weight of 333.47 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate is sourced from PubChem (CID 147005725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).