N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide

C19H30N2O3 — CID 110929697

IUPACN,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide
SMILESCCN(CC)C(=O)CN(Cc1cccc(O)c1)C1CCC(O)CC1
InChIInChI=1S/C19H30N2O3/c1-3-20(4-2)19(24)14-21(16-8-10-17(22)11-9-16)13-15-6-5-7-18(23)12-15/h5-7,12,16-17,22-23H,3-4,8-11,13-14H2,1-2H3
InChIKeyNJGXVWJJDSGFHS-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.37
Rot. Bonds7

About N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide

N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide (PubChem CID 110929697) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide
PubChem CID110929697
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide
SMILESCCN(CC)C(=O)CN(Cc1cccc(O)c1)C1CCC(O)CC1
InChIInChI=1S/C19H30N2O3/c1-3-20(4-2)19(24)14-21(16-8-10-17(22)11-9-16)13-15-6-5-7-18(23)12-15/h5-7,12,16-17,22-23H,3-4,8-11,13-14H2,1-2H3
InChIKeyNJGXVWJJDSGFHS-UHFFFAOYSA-N
XLogP2.37
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
CID 154747579
N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide
CID 52676957
3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067
3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
CID 111434933
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
CID 56795293
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
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 110919062
N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 51133953
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide (CID 110929697) is N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide is CCN(CC)C(=O)CN(Cc1cccc(O)c1)C1CCC(O)CC1.
What is the InChIKey of N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide?
The InChIKey is NJGXVWJJDSGFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-20(4-2)19(24)14-21(16-8-10-17(22)11-9-16)13-15-6-5-7-18(23)12-15/h5-7,12,16-17,22-23H,3-4,8-11,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide?
N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 110929697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).