1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid

C13H17NO2 — CID 70165401

IUPAC1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid
SMILESC=C(C)c1cccc(CC(C)NC(=O)O)c1
InChIInChI=1S/C13H17NO2/c1-9(2)12-6-4-5-11(8-12)7-10(3)14-13(15)16/h4-6,8,10,14H,1,7H2,2-3H3,(H,15,16)
InChIKeyBXVFUUJTAWFLKF-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.92
Rot. Bonds4

About 1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid

1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid (PubChem CID 70165401) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid
PubChem CID70165401
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid
SMILESC=C(C)c1cccc(CC(C)NC(=O)O)c1
InChIInChI=1S/C13H17NO2/c1-9(2)12-6-4-5-11(8-12)7-10(3)14-13(15)16/h4-6,8,10,14H,1,7H2,2-3H3,(H,15,16)
InChIKeyBXVFUUJTAWFLKF-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]carbamic acid
CID 68872391
3-(2-bromopropyl)benzoic acid
CID 174573518
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470
1-(2-benzhydrylprop-2-enyl)-3-prop-1-en-2-ylbenzene
CID 59268378
(2S)-2-acetamido-3-(3-acetylphenyl)propanoic acid
CID 167735603
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
ethane;N-[1-[3-(morpholine-4-carbonyl)phenyl]propan-2-yl]acetamide
CID 142839545
3-(2-fluoropropyl)benzoic acid
CID 84658380
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952

Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid?
The IUPAC name of 1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid (CID 70165401) is 1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid.
What is the SMILES notation for 1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid?
The canonical SMILES for 1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid is C=C(C)c1cccc(CC(C)NC(=O)O)c1.
What is the InChIKey of 1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid?
The InChIKey is BXVFUUJTAWFLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)12-6-4-5-11(8-12)7-10(3)14-13(15)16/h4-6,8,10,14H,1,7H2,2-3H3,(H,15,16).
What are the key properties of 1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid?
1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid has a molecular weight of 219.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamic acid is sourced from PubChem (CID 70165401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).