N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid

C14H23NO4 — CID 67636325

IUPACN-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid
SMILESCCOc1ccc(NC(C)CC)cc1.O=C(O)CO
InChIInChI=1S/C12H19NO.C2H4O3/c1-4-10(3)13-11-6-8-12(9-7-11)14-5-2;3-1-2(4)5/h6-10,13H,4-5H2,1-3H3;3H,1H2,(H,4,5)
InChIKeyXVBHLCOCQSBTJZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.36
Rot. Bonds6

About N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid

N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid (PubChem CID 67636325) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid.

Molecular Properties

Compound NameN-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid
PubChem CID67636325
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC NameN-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid
SMILESCCOc1ccc(NC(C)CC)cc1.O=C(O)CO
InChIInChI=1S/C12H19NO.C2H4O3/c1-4-10(3)13-11-6-8-12(9-7-11)14-5-2;3-1-2(4)5/h6-10,13H,4-5H2,1-3H3;3H,1H2,(H,4,5)
InChIKeyXVBHLCOCQSBTJZ-UHFFFAOYSA-N
XLogP2.36
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-propoxyaniline
CID 21311789
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112980491
5-[1-(4-ethoxyanilino)ethyl]furan-2-carboxylic acid
CID 103231754
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109249139
3-N-(4-ethoxyphenyl)butane-1,3-diamine
CID 117027044
(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83193372
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
propan-2-yl 4-(butan-2-ylamino)benzoate
CID 43684062
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-butan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43686731
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109297209

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid?
The IUPAC name of N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid (CID 67636325) is N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid.
What is the SMILES notation for N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid?
The canonical SMILES for N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid is CCOc1ccc(NC(C)CC)cc1.O=C(O)CO.
What is the InChIKey of N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid?
The InChIKey is XVBHLCOCQSBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C2H4O3/c1-4-10(3)13-11-6-8-12(9-7-11)14-5-2;3-1-2(4)5/h6-10,13H,4-5H2,1-3H3;3H,1H2,(H,4,5).
What are the key properties of N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid?
N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid has a molecular weight of 269.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid is sourced from PubChem (CID 67636325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).