(3-methoxy-1-phenylpropyl)carbamic acid

C11H15NO3 — CID 67224649

IUPAC(3-methoxy-1-phenylpropyl)carbamic acid
SMILESCOCCC(NC(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-15-8-7-10(12-11(13)14)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,13,14)
InChIKeyNVZWGACWWMETHZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.03
Rot. Bonds5

About (3-methoxy-1-phenylpropyl)carbamic acid

(3-methoxy-1-phenylpropyl)carbamic acid (PubChem CID 67224649) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (3-methoxy-1-phenylpropyl)carbamic acid.

Molecular Properties

Compound Name(3-methoxy-1-phenylpropyl)carbamic acid
PubChem CID67224649
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(3-methoxy-1-phenylpropyl)carbamic acid
SMILESCOCCC(NC(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-15-8-7-10(12-11(13)14)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,13,14)
InChIKeyNVZWGACWWMETHZ-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
1-phenylhexylcarbamic acid
CID 21477897
1-phenyloctylcarbamic acid
CID 90271204
1-phenylnonylcarbamic acid
CID 67252081
(4-amino-1-phenylbutyl)carbamic acid
CID 121416370
(5-amino-1-phenylpentyl)carbamic acid
CID 121416369
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
(2-amino-1-phenylethyl)carbamic acid
CID 66600321
N-(1,3-diphenylpropyl)-2-(2-methoxyethylamino)acetamide
CID 119737630
(2R)-2-(4-methoxybutan-2-ylamino)-2-phenylethanol
CID 103788815
3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 43358425
2-(2-methoxyethoxy)-N-(1-phenylpropyl)acetamide
CID 103612351

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-phenylpropyl)carbamic acid?
The IUPAC name of (3-methoxy-1-phenylpropyl)carbamic acid (CID 67224649) is (3-methoxy-1-phenylpropyl)carbamic acid.
What is the SMILES notation for (3-methoxy-1-phenylpropyl)carbamic acid?
The canonical SMILES for (3-methoxy-1-phenylpropyl)carbamic acid is COCCC(NC(=O)O)c1ccccc1.
What is the InChIKey of (3-methoxy-1-phenylpropyl)carbamic acid?
The InChIKey is NVZWGACWWMETHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-15-8-7-10(12-11(13)14)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,13,14).
What are the key properties of (3-methoxy-1-phenylpropyl)carbamic acid?
(3-methoxy-1-phenylpropyl)carbamic acid has a molecular weight of 209.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-phenylpropyl)carbamic acid is sourced from PubChem (CID 67224649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).