3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide

C16H27N3O2 — CID 81070538

IUPAC3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-4-13(12-17)10-16(20)18-14-6-5-7-15(11-14)21-9-8-19(2)3/h5-7,11,13H,4,8-10,12,17H2,1-3H3,(H,18,20)
InChIKeyVFJVFPGBLOYKST-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.94
Rot. Bonds9

About 3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide

3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide (PubChem CID 81070538) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide
PubChem CID81070538
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-4-13(12-17)10-16(20)18-14-6-5-7-15(11-14)21-9-8-19(2)3/h5-7,11,13H,4,8-10,12,17H2,1-3H3,(H,18,20)
InChIKeyVFJVFPGBLOYKST-UHFFFAOYSA-N
XLogP1.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 60852855
3-amino-4-[3-[2-(dimethylamino)ethoxy]anilino]-4-oxobutanoic acid
CID 64897056
methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate
CID 115352749
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 61180242
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 81075870
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
CID 103831964
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide (CID 81070538) is 3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide is CCC(CN)CC(=O)Nc1cccc(OCCN(C)C)c1.
What is the InChIKey of 3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide?
The InChIKey is VFJVFPGBLOYKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-13(12-17)10-16(20)18-14-6-5-7-15(11-14)21-9-8-19(2)3/h5-7,11,13H,4,8-10,12,17H2,1-3H3,(H,18,20).
What are the key properties of 3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide?
3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide has a molecular weight of 293.41 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide is sourced from PubChem (CID 81070538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).