3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide

C17H26N2O2 — CID 154335641

IUPAC3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide
SMILESCc1ccc(CCC(N)CC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-2-4-14(5-3-13)6-7-15(18)12-17(20)19-16-8-10-21-11-9-16/h2-5,15-16H,6-12,18H2,1H3,(H,19,20)
InChIKeyJXQWDGRDPUXTTQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.94
Rot. Bonds6

About 3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide

3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide (PubChem CID 154335641) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide.

Molecular Properties

Compound Name3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide
PubChem CID154335641
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide
SMILESCc1ccc(CCC(N)CC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-2-4-14(5-3-13)6-7-15(18)12-17(20)19-16-8-10-21-11-9-16/h2-5,15-16H,6-12,18H2,1H3,(H,19,20)
InChIKeyJXQWDGRDPUXTTQ-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
(3S)-3-amino-5-(4-methylphenyl)pentanoic acid
CID 174696804
3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
CID 175666639
(2S)-2-amino-4-(oxan-4-ylamino)-4-oxobutanoic acid
CID 70945523
2-(2-amino-4-methylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 55181885
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
(2S)-2-amino-3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)propanamide
CID 66750690
4-[3-[[(4R)-oxepan-4-yl]amino]-3-oxopropyl]benzoic acid
CID 129402468
3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen
CID 143418812
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide?
The IUPAC name of 3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide (CID 154335641) is 3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide.
What is the SMILES notation for 3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide?
The canonical SMILES for 3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide is Cc1ccc(CCC(N)CC(=O)NC2CCOCC2)cc1.
What is the InChIKey of 3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide?
The InChIKey is JXQWDGRDPUXTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-2-4-14(5-3-13)6-7-15(18)12-17(20)19-16-8-10-21-11-9-16/h2-5,15-16H,6-12,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide?
3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide has a molecular weight of 290.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methylphenyl)-N-(oxan-4-yl)pentanamide is sourced from PubChem (CID 154335641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).