3-(4-methylanilino)hexanoylcarbamic acid

C14H20N2O3 — CID 69428420

IUPAC3-(4-methylanilino)hexanoylcarbamic acid
SMILESCCCC(CC(=O)NC(=O)O)Nc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-3-4-12(9-13(17)16-14(18)19)15-11-7-5-10(2)6-8-11/h5-8,12,15H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKLXNBPINVQRAGF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.76
Rot. Bonds6

About 3-(4-methylanilino)hexanoylcarbamic acid

3-(4-methylanilino)hexanoylcarbamic acid (PubChem CID 69428420) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(4-methylanilino)hexanoylcarbamic acid.

Molecular Properties

Compound Name3-(4-methylanilino)hexanoylcarbamic acid
PubChem CID69428420
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(4-methylanilino)hexanoylcarbamic acid
SMILESCCCC(CC(=O)NC(=O)O)Nc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-3-4-12(9-13(17)16-14(18)19)15-11-7-5-10(2)6-8-11/h5-8,12,15H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKLXNBPINVQRAGF-UHFFFAOYSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-methylanilino)hexanoate
CID 155464444
3-anilinopentanoylcarbamic acid
CID 69429272
4-methyl-N-octan-4-ylaniline
CID 12779858
ethyl 3-anilinohexanoate
CID 10354056
1-hexan-3-yl-3-(4-methylphenyl)urea
CID 134360432
2-(4-methylanilino)heptanoic acid
CID 54889807
2-(4-methylanilino)nonanoic acid
CID 63524441
1-N'-(4-methylphenyl)butane-1,1-diamine
CID 143703381
ethyl (2S)-3-hydroxy-2-(4-methylanilino)propanoate
CID 167650197
N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline
CID 10989831
4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide
CID 66432895
3-(4-methylphenyl)hexanoic acid
CID 23456891

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)hexanoylcarbamic acid?
The IUPAC name of 3-(4-methylanilino)hexanoylcarbamic acid (CID 69428420) is 3-(4-methylanilino)hexanoylcarbamic acid.
What is the SMILES notation for 3-(4-methylanilino)hexanoylcarbamic acid?
The canonical SMILES for 3-(4-methylanilino)hexanoylcarbamic acid is CCCC(CC(=O)NC(=O)O)Nc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylanilino)hexanoylcarbamic acid?
The InChIKey is KLXNBPINVQRAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-4-12(9-13(17)16-14(18)19)15-11-7-5-10(2)6-8-11/h5-8,12,15H,3-4,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-(4-methylanilino)hexanoylcarbamic acid?
3-(4-methylanilino)hexanoylcarbamic acid has a molecular weight of 264.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)hexanoylcarbamic acid is sourced from PubChem (CID 69428420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).