N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide

C16H26N2O2 — CID 172569680

IUPACN-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
SMILESCC(C)(C)OCCC(CCNC=O)c1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)20-10-8-13(7-9-18-12-19)14-5-4-6-15(17)11-14/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,19)
InChIKeyIAUPZGQIFPIWAF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.69
Rot. Bonds8

About N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide

N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide (PubChem CID 172569680) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide.

Molecular Properties

Compound NameN-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
PubChem CID172569680
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
SMILESCC(C)(C)OCCC(CCNC=O)c1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)20-10-8-13(7-9-18-12-19)14-5-4-6-15(17)11-14/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,19)
InChIKeyIAUPZGQIFPIWAF-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane
CID 172569679
ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
CID 153396785
N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide
CID 166490078
1-bromo-3-[1-chloro-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]benzene
CID 112592474
2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 112592372
N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995330
3-[(1S)-1-amino-2-methoxyethyl]aniline
CID 55291978
3-(3-aminophenyl)-3-hydroxypropanal
CID 102502170
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
methyl 2-[2-(3-aminophenyl)-2-hydroxyethyl]sulfanylacetate
CID 62268827
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide
CID 145164338

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide?
The IUPAC name of N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide (CID 172569680) is N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide.
What is the SMILES notation for N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide?
The canonical SMILES for N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide is CC(C)(C)OCCC(CCNC=O)c1cccc(N)c1.
What is the InChIKey of N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide?
The InChIKey is IAUPZGQIFPIWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)20-10-8-13(7-9-18-12-19)14-5-4-6-15(17)11-14/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,19).
What are the key properties of N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide?
N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide has a molecular weight of 278.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide is sourced from PubChem (CID 172569680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).