N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide

C16H22N2O4 — CID 99822465

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCCC1
InChIInChI=1S/C16H22N2O4/c1-21-16(9-3-2-4-10-16)15(20)18-12-5-7-13(8-6-12)22-11-14(17)19/h5-8H,2-4,9-11H2,1H3,(H2,17,19)(H,18,20)
InChIKeyLZSDMUZUXGHTRX-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.84
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide (PubChem CID 99822465) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
PubChem CID99822465
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCCC1
InChIInChI=1S/C16H22N2O4/c1-21-16(9-3-2-4-10-16)15(20)18-12-5-7-13(8-6-12)22-11-14(17)19/h5-8H,2-4,9-11H2,1H3,(H2,17,19)(H,18,20)
InChIKeyLZSDMUZUXGHTRX-UHFFFAOYSA-N
XLogP1.84
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100713755
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 133246150
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide
CID 60584279
1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100702903
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944287
methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
CID 119283545
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891525
1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100703803
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide
CID 133246116
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide (CID 99822465) is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide is COC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCCC1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide?
The InChIKey is LZSDMUZUXGHTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-16(9-3-2-4-10-16)15(20)18-12-5-7-13(8-6-12)22-11-14(17)19/h5-8H,2-4,9-11H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 99822465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).