2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide

C16H24N2O2 — CID 76892756

IUPAC2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H24N2O2/c17-15(11-12-7-9-14(19)10-8-12)16(20)18-13-5-3-1-2-4-6-13/h7-10,13,15,19H,1-6,11,17H2,(H,18,20)
InChIKeyOGEMGOSRIKTZCG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.10
Rot. Bonds4

About 2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide

2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide (PubChem CID 76892756) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
PubChem CID76892756
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H24N2O2/c17-15(11-12-7-9-14(19)10-8-12)16(20)18-13-5-3-1-2-4-6-13/h7-10,13,15,19H,1-6,11,17H2,(H,18,20)
InChIKeyOGEMGOSRIKTZCG-UHFFFAOYSA-N
XLogP2.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide
CID 114350784
(2S)-2-amino-N-(3-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 61156321
(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 104905091
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768
2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 114350623
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
CID 104871348
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 61149291
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465095
(2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide
CID 119074984
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104904745
(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide
CID 83021846

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide (CID 76892756) is 2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide is NC(Cc1ccc(O)cc1)C(=O)NC1CCCCCC1.
What is the InChIKey of 2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide?
The InChIKey is OGEMGOSRIKTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-15(11-12-7-9-14(19)10-8-12)16(20)18-13-5-3-1-2-4-6-13/h7-10,13,15,19H,1-6,11,17H2,(H,18,20).
What are the key properties of 2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide?
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 76892756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).