N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide

C17H27N3O — CID 43211808

IUPACN-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1CN)N1CCCCCCC1
InChIInChI=1S/C17H27N3O/c1-14(20-11-7-3-2-4-8-12-20)17(21)19-16-10-6-5-9-15(16)13-18/h5-6,9-10,14H,2-4,7-8,11-13,18H2,1H3,(H,19,21)
InChIKeyWWMBDIOLZXXCAM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.74
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide

N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide (PubChem CID 43211808) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide
PubChem CID43211808
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1CN)N1CCCCCCC1
InChIInChI=1S/C17H27N3O/c1-14(20-11-7-3-2-4-8-12-20)17(21)19-16-10-6-5-9-15(16)13-18/h5-6,9-10,14H,2-4,7-8,11-13,18H2,1H3,(H,19,21)
InChIKeyWWMBDIOLZXXCAM-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 32728580
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide
CID 131924875
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896
N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide
CID 81328761
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 71933436
N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
CID 81328530
(2S)-2-(azocan-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2655376

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide (CID 43211808) is N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide is CC(C(=O)Nc1ccccc1CN)N1CCCCCCC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide?
The InChIKey is WWMBDIOLZXXCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(20-11-7-3-2-4-8-12-20)17(21)19-16-10-6-5-9-15(16)13-18/h5-6,9-10,14H,2-4,7-8,11-13,18H2,1H3,(H,19,21).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide?
N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide is sourced from PubChem (CID 43211808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).