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

C13H21N3O2 — CID 54879755

IUPACN-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
SMILESCCN(CCO)CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C13H21N3O2/c1-2-16(6-7-17)10-13(18)15-12-5-3-4-11(8-12)9-14/h3-5,8,17H,2,6-7,9-10,14H2,1H3,(H,15,18)
InChIKeyBZUOXDKRCMNEKC-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.40
Rot. Bonds7

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

N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 54879755) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
PubChem CID54879755
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
SMILESCCN(CCO)CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C13H21N3O2/c1-2-16(6-7-17)10-13(18)15-12-5-3-4-11(8-12)9-14/h3-5,8,17H,2,6-7,9-10,14H2,1H3,(H,15,18)
InChIKeyBZUOXDKRCMNEKC-UHFFFAOYSA-N
XLogP0.40
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478853
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477802
2-[ethyl(2-hydroxyethyl)amino]-N-(3-phenoxyphenyl)acetamide
CID 110881180
N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
CID 43274235
N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423165
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 63694626
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
2-[2-aminoethyl(ethyl)amino]-N-phenylacetamide
CID 61348942
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide (CID 54879755) is N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide is CCN(CCO)CC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is BZUOXDKRCMNEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-16(6-7-17)10-13(18)15-12-5-3-4-11(8-12)9-14/h3-5,8,17H,2,6-7,9-10,14H2,1H3,(H,15,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide?
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 54879755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).