4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C14H19NO4 — CID 79525609

IUPAC4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1ccoc1C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19NO4/c1-9-6-7-19-12(9)13(16)15-8-10-2-4-11(5-3-10)14(17)18/h6-7,10-11H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyDVXNIMOHFYTTAQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.21
Rot. Bonds4

About 4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525609) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79525609
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1ccoc1C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19NO4/c1-9-6-7-19-12(9)13(16)15-8-10-2-4-11(5-3-10)14(17)18/h6-7,10-11H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyDVXNIMOHFYTTAQ-UHFFFAOYSA-N
XLogP2.21
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide
CID 114317495
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide
CID 114317234
3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 131925360
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119798351
3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 30853413
4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79803145
4-[[(5-bromo-2-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526397
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 137200016
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
3-methyl-N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 131952335

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79525609) is 4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is Cc1ccoc1C(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DVXNIMOHFYTTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-6-7-19-12(9)13(16)15-8-10-2-4-11(5-3-10)14(17)18/h6-7,10-11H,2-5,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).