N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide

C16H28N4O — CID 103187880

IUPACN-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(CN)cc1)C(C)CN(C)C
InChIInChI=1S/C16H28N4O/c1-5-20(13(2)11-19(3)4)12-16(21)18-15-8-6-14(10-17)7-9-15/h6-9,13H,5,10-12,17H2,1-4H3,(H,18,21)
InChIKeyWMSTVTXWVLLDAS-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.36
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide

N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide (PubChem CID 103187880) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
PubChem CID103187880
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(CN)cc1)C(C)CN(C)C
InChIInChI=1S/C16H28N4O/c1-5-20(13(2)11-19(3)4)12-16(21)18-15-8-6-14(10-17)7-9-15/h6-9,13H,5,10-12,17H2,1-4H3,(H,18,21)
InChIKeyWMSTVTXWVLLDAS-UHFFFAOYSA-N
XLogP1.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280
N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477006
N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
CID 43274235
N-[4-(aminomethyl)phenyl]-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43575674
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63383294
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide
CID 8779615
N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81058978
N-(4-ethylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 55060790
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
3-[4-(aminomethyl)phenyl]-1,1-diethylurea
CID 43133027
2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide
CID 174285055

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide (CID 103187880) is N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(CN)cc1)C(C)CN(C)C.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide?
The InChIKey is WMSTVTXWVLLDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-20(13(2)11-19(3)4)12-16(21)18-15-8-6-14(10-17)7-9-15/h6-9,13H,5,10-12,17H2,1-4H3,(H,18,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide?
N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide has a molecular weight of 292.43 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide is sourced from PubChem (CID 103187880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).