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

C19H29N3O3 — CID 119284187

IUPAC1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)COc1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C19H29N3O3/c1-3-22(4-2)17(23)14-25-16-10-8-9-15(13-16)21-18(24)19(20)11-6-5-7-12-19/h8-10,13H,3-7,11-12,14,20H2,1-2H3,(H,21,24)
InChIKeyHGHQEJQVAASDGU-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.53
Rot. Bonds7

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

1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide (PubChem CID 119284187) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide
PubChem CID119284187
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)COc1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C19H29N3O3/c1-3-22(4-2)17(23)14-25-16-10-8-9-15(13-16)21-18(24)19(20)11-6-5-7-12-19/h8-10,13H,3-7,11-12,14,20H2,1-2H3,(H,21,24)
InChIKeyHGHQEJQVAASDGU-UHFFFAOYSA-N
XLogP2.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 81169639
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
CID 119269068
1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide
CID 119303127
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119702073
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
4-[[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]methyl]benzoic acid
CID 122075512
1-amino-N-[3-(2-methylpropoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119714874
1-amino-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 60867410
2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide
CID 117097567

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide (CID 119284187) is 1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide is CCN(CC)C(=O)COc1cccc(NC(=O)C2(N)CCCCC2)c1.
What is the InChIKey of 1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide?
The InChIKey is HGHQEJQVAASDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-22(4-2)17(23)14-25-16-10-8-9-15(13-16)21-18(24)19(20)11-6-5-7-12-19/h8-10,13H,3-7,11-12,14,20H2,1-2H3,(H,21,24).
What are the key properties of 1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide?
1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119284187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).