3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide

C16H25N3O2 — CID 81311740

IUPAC3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(=O)Cc1ccccc1CN
InChIInChI=1S/C16H25N3O2/c1-3-19(4-2)16(21)9-10-18-15(20)11-13-7-5-6-8-14(13)12-17/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20)
InChIKeyPQHVVINQBGGAFP-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.06
Rot. Bonds8

About 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide

3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide (PubChem CID 81311740) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
PubChem CID81311740
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(=O)Cc1ccccc1CN
InChIInChI=1S/C16H25N3O2/c1-3-19(4-2)16(21)9-10-18-15(20)11-13-7-5-6-8-14(13)12-17/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20)
InChIKeyPQHVVINQBGGAFP-UHFFFAOYSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909
2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 81317526
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 78916962
2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 81322828
2-(2-bromophenyl)-N-[2-(diethylamino)-2-oxoethyl]acetamide
CID 112994741
3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925933
2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
CID 65229755
2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide
CID 106186730
N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide
CID 49381134

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide (CID 81311740) is 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC(=O)Cc1ccccc1CN.
What is the InChIKey of 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide?
The InChIKey is PQHVVINQBGGAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19(4-2)16(21)9-10-18-15(20)11-13-7-5-6-8-14(13)12-17/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20).
What are the key properties of 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide?
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide is sourced from PubChem (CID 81311740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).