(2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide

C18H27N3O3 — CID 119074984

IUPAC(2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide
SMILESNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)NC1CCCCCCC1
InChIInChI=1S/C18H27N3O3/c19-17(23)16(12-13-8-10-15(22)11-9-13)21-18(24)20-14-6-4-2-1-3-5-7-14/h8-11,14,16,22H,1-7,12H2,(H2,19,23)(H2,20,21,24)/t16-/m0/s1
InChIKeyVYESCSFXUNAKBA-INIZCTEOSA-N
MW333.43 g/mol
LogP2.20
Rot. Bonds5

About (2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide

(2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide (PubChem CID 119074984) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide
PubChem CID119074984
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide
SMILESNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)NC1CCCCCCC1
InChIInChI=1S/C18H27N3O3/c19-17(23)16(12-13-8-10-15(22)11-9-13)21-18(24)20-14-6-4-2-1-3-5-7-14/h8-11,14,16,22H,1-7,12H2,(H2,19,23)(H2,20,21,24)/t16-/m0/s1
InChIKeyVYESCSFXUNAKBA-INIZCTEOSA-N
XLogP2.20
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 104904500
2-(cyclopropylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61187927
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
(2R)-2-amino-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-cyclopropylpropanamide
CID 155214747
2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 18352519
(2S)-3-(4-hydroxyphenyl)-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 104861573
2-hydrazinyl-3-(4-hydroxyphenyl)propanamide
CID 144742434
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
CID 71080092
N-cyclohexylcyclohexanamine;(2S)-2-formamido-3-(4-hydroxyphenyl)propanoic acid
CID 71352551
(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide
CID 11067759

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide (CID 119074984) is (2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide is NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)NC1CCCCCCC1.
What is the InChIKey of (2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is VYESCSFXUNAKBA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O3/c19-17(23)16(12-13-8-10-15(22)11-9-13)21-18(24)20-14-6-4-2-1-3-5-7-14/h8-11,14,16,22H,1-7,12H2,(H2,19,23)(H2,20,21,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide?
(2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 119074984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).