1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide

C15H21N3O3 — CID 119740364

IUPAC1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
SMILESCCNC(=O)COc1cccc(CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C15H21N3O3/c1-2-17-13(19)10-21-12-5-3-4-11(8-12)9-18-14(20)15(16)6-7-15/h3-5,8H,2,6-7,9-10,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyLLNUCIIBPFXNIM-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.31
Rot. Bonds7

About 1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 119740364) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID119740364
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
SMILESCCNC(=O)COc1cccc(CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C15H21N3O3/c1-2-17-13(19)10-21-12-5-3-4-11(8-12)9-18-14(20)15(16)6-7-15/h3-5,8H,2,6-7,9-10,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyLLNUCIIBPFXNIM-UHFFFAOYSA-N
XLogP0.31
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
CID 119787093
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258
1-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119302175
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187254
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746
2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119740409
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide
CID 119740412
N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide
CID 138994417
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide (CID 119740364) is 1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide is CCNC(=O)COc1cccc(CNC(=O)C2(N)CC2)c1.
What is the InChIKey of 1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is LLNUCIIBPFXNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-17-13(19)10-21-12-5-3-4-11(8-12)9-18-14(20)15(16)6-7-15/h3-5,8H,2,6-7,9-10,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119740364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).