3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide

C14H21N3O2 — CID 114113192

IUPAC3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide
SMILESCOCCC1(CNc2c(N)cccc2C(N)=O)CC1
InChIInChI=1S/C14H21N3O2/c1-19-8-7-14(5-6-14)9-17-12-10(13(16)18)3-2-4-11(12)15/h2-4,17H,5-9,15H2,1H3,(H2,16,18)
InChIKeyKWTATPFXUZEFHC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.60
Rot. Bonds7

About 3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide

3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide (PubChem CID 114113192) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide
PubChem CID114113192
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide
SMILESCOCCC1(CNc2c(N)cccc2C(N)=O)CC1
InChIInChI=1S/C14H21N3O2/c1-19-8-7-14(5-6-14)9-17-12-10(13(16)18)3-2-4-11(12)15/h2-4,17H,5-9,15H2,1H3,(H2,16,18)
InChIKeyKWTATPFXUZEFHC-UHFFFAOYSA-N
XLogP1.60
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]benzamide
CID 119945992
3-amino-2-(2-methoxyethylamino)benzoic acid
CID 112577611
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide
CID 113406427
3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline
CID 114112981
3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide
CID 114113452
2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 102978738
3-amino-2-(oxan-4-ylmethylamino)benzamide
CID 112578986
2-(3-hydroxyphenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 103801681
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide
CID 114098632
5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide
CID 114112956

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide?
The IUPAC name of 3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide (CID 114113192) is 3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide.
What is the SMILES notation for 3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide?
The canonical SMILES for 3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide is COCCC1(CNc2c(N)cccc2C(N)=O)CC1.
What is the InChIKey of 3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide?
The InChIKey is KWTATPFXUZEFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-8-7-14(5-6-14)9-17-12-10(13(16)18)3-2-4-11(12)15/h2-4,17H,5-9,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide?
3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide is sourced from PubChem (CID 114113192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).