2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide

C18H24N2O3 — CID 154747579

IUPAC2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(Cc1cccc(O)c1)C1CCC(O)CC1
InChIInChI=1S/C18H24N2O3/c1-2-10-19-18(23)13-20(15-6-8-16(21)9-7-15)12-14-4-3-5-17(22)11-14/h1,3-5,11,15-16,21-22H,6-10,12-13H2,(H,19,23)
InChIKeyFNKAHJSYPPEVIK-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.25
Rot. Bonds6

About 2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide

2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide (PubChem CID 154747579) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
PubChem CID154747579
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(Cc1cccc(O)c1)C1CCC(O)CC1
InChIInChI=1S/C18H24N2O3/c1-2-10-19-18(23)13-20(15-6-8-16(21)9-7-15)12-14-4-3-5-17(22)11-14/h1,3-5,11,15-16,21-22H,6-10,12-13H2,(H,19,23)
InChIKeyFNKAHJSYPPEVIK-UHFFFAOYSA-N
XLogP1.25
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide
CID 110929697
3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 51133953
3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
CID 111434933
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 110919062
3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 111434936
3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol
CID 146138888
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
3-[[2,5-dioxaspiro[3.4]octan-6-ylmethyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 167980448
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87014264
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 86885972

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide (CID 154747579) is 2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(Cc1cccc(O)c1)C1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide?
The InChIKey is FNKAHJSYPPEVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-10-19-18(23)13-20(15-6-8-16(21)9-7-15)12-14-4-3-5-17(22)11-14/h1,3-5,11,15-16,21-22H,6-10,12-13H2,(H,19,23).
What are the key properties of 2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide?
2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide has a molecular weight of 316.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 154747579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).