N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide

C20H33N3O2 — CID 119110630

IUPACN-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCc2ccc(OCCCN(C)C)cc2)CC1
InChIInChI=1S/C20H33N3O2/c1-16(24)22-19-9-7-18(8-10-19)21-15-17-5-11-20(12-6-17)25-14-4-13-23(2)3/h5-6,11-12,18-19,21H,4,7-10,13-15H2,1-3H3,(H,22,24)
InChIKeyZWLLXZGSRLYPSY-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.55
Rot. Bonds9

About N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide

N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide (PubChem CID 119110630) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide
PubChem CID119110630
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCc2ccc(OCCCN(C)C)cc2)CC1
InChIInChI=1S/C20H33N3O2/c1-16(24)22-19-9-7-18(8-10-19)21-15-17-5-11-20(12-6-17)25-14-4-13-23(2)3/h5-6,11-12,18-19,21H,4,7-10,13-15H2,1-3H3,(H,22,24)
InChIKeyZWLLXZGSRLYPSY-UHFFFAOYSA-N
XLogP2.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.55
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

N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
CID 62458464
N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009386
N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62417571
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119877262
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574807
methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate
CID 86843151
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 55058266

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide (CID 119110630) is N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide is CC(=O)NC1CCC(NCc2ccc(OCCCN(C)C)cc2)CC1.
What is the InChIKey of N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide?
The InChIKey is ZWLLXZGSRLYPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16(24)22-19-9-7-18(8-10-19)21-15-17-5-11-20(12-6-17)25-14-4-13-23(2)3/h5-6,11-12,18-19,21H,4,7-10,13-15H2,1-3H3,(H,22,24).
What are the key properties of N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide?
N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide is sourced from PubChem (CID 119110630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).