N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide

C16H25N3O2 — CID 61453328

IUPACN-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(CCC(=O)Nc1cccc(CN)c1)C1CC1
InChIInChI=1S/C16H25N3O2/c1-21-10-9-19(15-5-6-15)8-7-16(20)18-14-4-2-3-13(11-14)12-17/h2-4,11,15H,5-10,12,17H2,1H3,(H,18,20)
InChIKeyHGOVFRROGDUHAU-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.58
Rot. Bonds9

About N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide

N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide (PubChem CID 61453328) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
PubChem CID61453328
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(CCC(=O)Nc1cccc(CN)c1)C1CC1
InChIInChI=1S/C16H25N3O2/c1-21-10-9-19(15-5-6-15)8-7-16(20)18-14-4-2-3-13(11-14)12-17/h2-4,11,15H,5-10,12,17H2,1H3,(H,18,20)
InChIKeyHGOVFRROGDUHAU-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61453245
N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61453286
N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61450066
N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61451516
N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732203
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine
CID 111099248
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60838182
N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide (CID 61453328) is N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide is COCCN(CCC(=O)Nc1cccc(CN)c1)C1CC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The InChIKey is HGOVFRROGDUHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-10-9-19(15-5-6-15)8-7-16(20)18-14-4-2-3-13(11-14)12-17/h2-4,11,15H,5-10,12,17H2,1H3,(H,18,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide is sourced from PubChem (CID 61453328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).