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

C15H25N3O — CID 43274235

IUPACN-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
SMILESCCC(C)N(CC)CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H25N3O/c1-4-12(3)18(5-2)11-15(19)17-14-8-6-7-13(9-14)10-16/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyRGXIPRAWBPPDJQ-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.20
Rot. Bonds7

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

N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide (PubChem CID 43274235) has the molecular formula C15H25N3O and a molecular weight of 263.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
PubChem CID43274235
Molecular FormulaC15H25N3O
Molecular Weight263.39 g/mol
Exact Mass263.20
IUPAC NameN-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
SMILESCCC(C)N(CC)CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H25N3O/c1-4-12(3)18(5-2)11-15(19)17-14-8-6-7-13(9-14)10-16/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyRGXIPRAWBPPDJQ-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477802
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
CID 103187880
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 63694626
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide (CID 43274235) is N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide is CCC(C)N(CC)CC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide?
The InChIKey is RGXIPRAWBPPDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12(3)18(5-2)11-15(19)17-14-8-6-7-13(9-14)10-16/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide?
N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide has a molecular weight of 263.39 g/mol, XLogP of 2.20, 7 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-[butan-2-yl(ethyl)amino]acetamide is sourced from PubChem (CID 43274235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).