methyl-(4-propylphenyl)carbamic acid

C11H15NO2 — CID 115170704

IUPACmethyl-(4-propylphenyl)carbamic acid
SMILESCCCc1ccc(N(C)C(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-3-4-9-5-7-10(8-6-9)12(2)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeySEGFAUMJZLRDBC-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.75
Rot. Bonds3

About methyl-(4-propylphenyl)carbamic acid

methyl-(4-propylphenyl)carbamic acid (PubChem CID 115170704) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl-(4-propylphenyl)carbamic acid.

Molecular Properties

Compound Namemethyl-(4-propylphenyl)carbamic acid
PubChem CID115170704
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl-(4-propylphenyl)carbamic acid
SMILESCCCc1ccc(N(C)C(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-3-4-9-5-7-10(8-6-9)12(2)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeySEGFAUMJZLRDBC-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
2-cyano-N-methyl-N-(4-propylphenyl)acetamide
CID 115172956
4-amino-N-methyl-N-(4-propylphenyl)benzamide
CID 115160987
3-[4-[butanoyl(methyl)amino]phenyl]propanoic acid
CID 28759950
3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
CID 115161397
N-methyl-N-(4-propylphenyl)piperazine-1-carboxamide
CID 115171520
2-(N-methyl-4-propylanilino)butanedioic acid
CID 115144318
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
3-methyl-2-[(N-methyl-4-propylanilino)methyl]butanoic acid
CID 115250258
2-methyl-4-(N-methyl-4-propylanilino)butanoic acid
CID 115220616
2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide
CID 67173755
ethane;4-propylbenzoic acid
CID 91047964

Frequently Asked Questions

What is the IUPAC name of methyl-(4-propylphenyl)carbamic acid?
The IUPAC name of methyl-(4-propylphenyl)carbamic acid (CID 115170704) is methyl-(4-propylphenyl)carbamic acid.
What is the SMILES notation for methyl-(4-propylphenyl)carbamic acid?
The canonical SMILES for methyl-(4-propylphenyl)carbamic acid is CCCc1ccc(N(C)C(=O)O)cc1.
What is the InChIKey of methyl-(4-propylphenyl)carbamic acid?
The InChIKey is SEGFAUMJZLRDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-9-5-7-10(8-6-9)12(2)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of methyl-(4-propylphenyl)carbamic acid?
methyl-(4-propylphenyl)carbamic acid has a molecular weight of 193.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-propylphenyl)carbamic acid is sourced from PubChem (CID 115170704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).