2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide

C16H27N3O2 — CID 43248778

IUPAC2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C16H27N3O2/c1-13(16(20)18-8-5-9-21-3)19(2)12-15-7-4-6-14(10-15)11-17/h4,6-7,10,13H,5,8-9,11-12,17H2,1-3H3,(H,18,20)
InChIKeyZRZHANTXXUNKOE-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.12
Rot. Bonds9

About 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide

2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 43248778) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide
PubChem CID43248778
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C16H27N3O2/c1-13(16(20)18-8-5-9-21-3)19(2)12-15-7-4-6-14(10-15)11-17/h4,6-7,10,13H,5,8-9,11-12,17H2,1-3H3,(H,18,20)
InChIKeyZRZHANTXXUNKOE-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
CID 108506373
4-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]methyl]benzoic acid
CID 60978071
2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60904827
2-[(3-carbamothioylphenyl)methyl-methylamino]-N-propylpropanamide
CID 62966542
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787774
2-[4-(aminomethyl)-2-bromophenoxy]-N-(3-methoxypropyl)propanamide
CID 63046345
methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60720984
methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 95202904
2-(3-carbamothioyl-N-methylanilino)-N-(3-methoxypropyl)propanamide
CID 62970203
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-butylpropanamide
CID 60922998
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 55525636
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide (CID 43248778) is 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N(C)Cc1cccc(CN)c1.
What is the InChIKey of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is ZRZHANTXXUNKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(16(20)18-8-5-9-21-3)19(2)12-15-7-4-6-14(10-15)11-17/h4,6-7,10,13H,5,8-9,11-12,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide?
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43248778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).