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

C16H19N3O3 — CID 60584279

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCCC1
InChIInChI=1S/C16H19N3O3/c17-11-16(8-2-1-3-9-16)15(21)19-12-4-6-13(7-5-12)22-10-14(18)20/h4-7H,1-3,8-10H2,(H2,18,20)(H,19,21)
InChIKeyPAEYBOJVHHIDIC-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.96
Rot. Bonds5

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

N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide (PubChem CID 60584279) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide
PubChem CID60584279
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCCC1
InChIInChI=1S/C16H19N3O3/c17-11-16(8-2-1-3-9-16)15(21)19-12-4-6-13(7-5-12)22-10-14(18)20/h4-7H,1-3,8-10H2,(H2,18,20)(H,19,21)
InChIKeyPAEYBOJVHHIDIC-UHFFFAOYSA-N
XLogP1.96
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
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N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
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N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
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CID 78995000
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
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1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 61459503
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
CID 119283545

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide (CID 60584279) is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide is N#CC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCCC1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide?
The InChIKey is PAEYBOJVHHIDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-11-16(8-2-1-3-9-16)15(21)19-12-4-6-13(7-5-12)22-10-14(18)20/h4-7H,1-3,8-10H2,(H2,18,20)(H,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.96, 5 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-cyanocyclohexane-1-carboxamide is sourced from PubChem (CID 60584279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).