3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide

C16H24N2O2 — CID 104502770

IUPAC3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
SMILESCC(CC(=O)N(C)CC1CC(O)C1)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-11(13-3-5-14(17)6-4-13)7-16(20)18(2)10-12-8-15(19)9-12/h3-6,11-12,15,19H,7-10,17H2,1-2H3
InChIKeyQYPOQJXTXLVYIW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.99
Rot. Bonds5

About 3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide

3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide (PubChem CID 104502770) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
PubChem CID104502770
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
SMILESCC(CC(=O)N(C)CC1CC(O)C1)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-11(13-3-5-14(17)6-4-13)7-16(20)18(2)10-12-8-15(19)9-12/h3-6,11-12,15,19H,7-10,17H2,1-2H3
InChIKeyQYPOQJXTXLVYIW-UHFFFAOYSA-N
XLogP1.99
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
CID 104502518
3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
CID 104502633
3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide
CID 104502669
methyl 2-[3-(4-aminophenyl)butanoyl-methylamino]acetate
CID 104502315
3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107199352
3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide
CID 104502211
3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
CID 104502203
3-(4-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 104502599
3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide
CID 104502286
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide (CID 104502770) is 3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide is CC(CC(=O)N(C)CC1CC(O)C1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide?
The InChIKey is QYPOQJXTXLVYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(13-3-5-14(17)6-4-13)7-16(20)18(2)10-12-8-15(19)9-12/h3-6,11-12,15,19H,7-10,17H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide?
3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 104502770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).