4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide

C16H27N3O2 — CID 119877301

IUPAC4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide
SMILESCN(C)CCCOc1ccc(CNC(=O)CCCN)cc1
InChIInChI=1S/C16H27N3O2/c1-19(2)11-4-12-21-15-8-6-14(7-9-15)13-18-16(20)5-3-10-17/h6-9H,3-5,10-13,17H2,1-2H3,(H,18,20)
InChIKeyOPHZEXWJFTXTPT-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.37
Rot. Bonds10

About 4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide

4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide (PubChem CID 119877301) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide
PubChem CID119877301
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide
SMILESCN(C)CCCOc1ccc(CNC(=O)CCCN)cc1
InChIInChI=1S/C16H27N3O2/c1-19(2)11-4-12-21-15-8-6-14(7-9-15)13-18-16(20)5-3-10-17/h6-9H,3-5,10-13,17H2,1-2H3,(H,18,20)
InChIKeyOPHZEXWJFTXTPT-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-2-methylbutanamide
CID 120503727
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide
CID 46536237
4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119277655
4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide
CID 119322066
N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
CID 108795819
4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 9304132
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
CID 110834162
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide (CID 119877301) is 4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide is CN(C)CCCOc1ccc(CNC(=O)CCCN)cc1.
What is the InChIKey of 4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide?
The InChIKey is OPHZEXWJFTXTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-19(2)11-4-12-21-15-8-6-14(7-9-15)13-18-16(20)5-3-10-17/h6-9H,3-5,10-13,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide?
4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide has a molecular weight of 293.41 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide is sourced from PubChem (CID 119877301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).