N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide

C16H27N3O — CID 79477802

IUPACN-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(CC)CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H27N3O/c1-4-13(3)11-19(5-2)12-16(20)18-15-8-6-7-14(9-15)10-17/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20)
InChIKeyIWFBAWWWLFHXJX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds8

About N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide

N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide (PubChem CID 79477802) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
PubChem CID79477802
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(CC)CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H27N3O/c1-4-13(3)11-19(5-2)12-16(20)18-15-8-6-7-14(9-15)10-17/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20)
InChIKeyIWFBAWWWLFHXJX-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477006
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
CID 43274235
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477796
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718
N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478853
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468
2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide
CID 54987420
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide
CID 54988178
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide (CID 79477802) is N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide is CCC(C)CN(CC)CC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide?
The InChIKey is IWFBAWWWLFHXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-13(3)11-19(5-2)12-16(20)18-15-8-6-7-14(9-15)10-17/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide?
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide is sourced from PubChem (CID 79477802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).