4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide

C17H26N2O3 — CID 120562992

IUPAC4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13(18)2-7-17(20)19-15-3-5-16(6-4-15)22-12-14-8-10-21-11-9-14/h3-6,13-14H,2,7-12,18H2,1H3,(H,19,20)
InChIKeyUWCTZDQTJJYBAF-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.56
Rot. Bonds7

About 4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide

4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide (PubChem CID 120562992) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
PubChem CID120562992
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13(18)2-7-17(20)19-15-3-5-16(6-4-15)22-12-14-8-10-21-11-9-14/h3-6,13-14H,2,7-12,18H2,1H3,(H,19,20)
InChIKeyUWCTZDQTJJYBAF-UHFFFAOYSA-N
XLogP2.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120668645
N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide
CID 126793439
4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide
CID 120562385
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793699
1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329322
1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
CID 71992090
2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide
CID 164513641
2-amino-N-[4-(cyclopropylmethoxy)phenyl]pentanamide
CID 119325264
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119329303

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide?
The IUPAC name of 4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide (CID 120562992) is 4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide is CC(N)CCC(=O)Nc1ccc(OCC2CCOCC2)cc1.
What is the InChIKey of 4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide?
The InChIKey is UWCTZDQTJJYBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(18)2-7-17(20)19-15-3-5-16(6-4-15)22-12-14-8-10-21-11-9-14/h3-6,13-14H,2,7-12,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide?
4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide has a molecular weight of 306.41 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide is sourced from PubChem (CID 120562992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).