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

C18H32N2O2 — CID 172569679

IUPACN-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane
SMILESCC.CC(C)(C)OCCC(CCNC=O)c1cccc(N)c1
InChIInChI=1S/C16H26N2O2.C2H6/c1-16(2,3)20-10-8-13(7-9-18-12-19)14-5-4-6-15(17)11-14;1-2/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,19);1-2H3
InChIKeyAEZOJKDEROGZTM-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.72
Rot. Bonds8

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

N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane (PubChem CID 172569679) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane.

Molecular Properties

Compound NameN-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane
PubChem CID172569679
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane
SMILESCC.CC(C)(C)OCCC(CCNC=O)c1cccc(N)c1
InChIInChI=1S/C16H26N2O2.C2H6/c1-16(2,3)20-10-8-13(7-9-18-12-19)14-5-4-6-15(17)11-14;1-2/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,19);1-2H3
InChIKeyAEZOJKDEROGZTM-UHFFFAOYSA-N
XLogP3.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.72
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
CID 172569680
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;ethane?
The IUPAC name of N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane (CID 172569679) is N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane.
What is the SMILES notation for N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane?
The canonical SMILES for N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane is CC.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;ethane?
The InChIKey is AEZOJKDEROGZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.C2H6/c1-16(2,3)20-10-8-13(7-9-18-12-19)14-5-4-6-15(17)11-14;1-2/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,19);1-2H3.
What are the key properties of N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane?
N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane has a molecular weight of 308.47 g/mol, XLogP of 3.72, 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;ethane is sourced from PubChem (CID 172569679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).