2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide

C15H21N3O3 — CID 64824522

IUPAC2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2CCCCC2N)c1
InChIInChI=1S/C15H21N3O3/c16-13-7-2-1-6-12(13)15(20)18-10-4-3-5-11(8-10)21-9-14(17)19/h3-5,8,12-13H,1-2,6-7,9,16H2,(H2,17,19)(H,18,20)
InChIKeyTUEKWECRJXXJPD-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.01
Rot. Bonds5

About 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide

2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 64824522) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID64824522
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2CCCCC2N)c1
InChIInChI=1S/C15H21N3O3/c16-13-7-2-1-6-12(13)15(20)18-10-4-3-5-11(8-10)21-9-14(17)19/h3-5,8,12-13H,1-2,6-7,9,16H2,(H2,17,19)(H,18,20)
InChIKeyTUEKWECRJXXJPD-UHFFFAOYSA-N
XLogP1.01
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
CID 64822364
2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 64824744
2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119723449
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide
CID 64822399
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119702079
2-[3-(cyclohexylmethylamino)phenoxy]acetamide
CID 43720202
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067417
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110015626

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide (CID 64824522) is 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide is NC(=O)COc1cccc(NC(=O)C2CCCCC2N)c1.
What is the InChIKey of 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is TUEKWECRJXXJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-13-7-2-1-6-12(13)15(20)18-10-4-3-5-11(8-10)21-9-14(17)19/h3-5,8,12-13H,1-2,6-7,9,16H2,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide?
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64824522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).