4-[3-(propan-2-ylamino)propoxymethyl]benzamide

C14H22N2O2 — CID 62343389

IUPAC4-[3-(propan-2-ylamino)propoxymethyl]benzamide
SMILESCC(C)NCCCOCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-8-3-9-18-10-12-4-6-13(7-5-12)14(15)17/h4-7,11,16H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyZFUCVNHKTJJGLX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.69
Rot. Bonds8

About 4-[3-(propan-2-ylamino)propoxymethyl]benzamide

4-[3-(propan-2-ylamino)propoxymethyl]benzamide (PubChem CID 62343389) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[3-(propan-2-ylamino)propoxymethyl]benzamide.

Molecular Properties

Compound Name4-[3-(propan-2-ylamino)propoxymethyl]benzamide
PubChem CID62343389
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[3-(propan-2-ylamino)propoxymethyl]benzamide
SMILESCC(C)NCCCOCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-8-3-9-18-10-12-4-6-13(7-5-12)14(15)17/h4-7,11,16H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyZFUCVNHKTJJGLX-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide
CID 62341432
3-[(3,5-dimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62342428
4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
CID 43283523
4-nitro-3-[3-(propan-2-ylamino)propoxy]benzamide
CID 82988528
4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide
CID 123186062
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
4-[[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111401012
3-[(3-nitrophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62341856
N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62441668
3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
CID 62670890
4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide
CID 62347462
4-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111398965

Frequently Asked Questions

What is the IUPAC name of 4-[3-(propan-2-ylamino)propoxymethyl]benzamide?
The IUPAC name of 4-[3-(propan-2-ylamino)propoxymethyl]benzamide (CID 62343389) is 4-[3-(propan-2-ylamino)propoxymethyl]benzamide.
What is the SMILES notation for 4-[3-(propan-2-ylamino)propoxymethyl]benzamide?
The canonical SMILES for 4-[3-(propan-2-ylamino)propoxymethyl]benzamide is CC(C)NCCCOCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-(propan-2-ylamino)propoxymethyl]benzamide?
The InChIKey is ZFUCVNHKTJJGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)16-8-3-9-18-10-12-4-6-13(7-5-12)14(15)17/h4-7,11,16H,3,8-10H2,1-2H3,(H2,15,17).
What are the key properties of 4-[3-(propan-2-ylamino)propoxymethyl]benzamide?
4-[3-(propan-2-ylamino)propoxymethyl]benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(propan-2-ylamino)propoxymethyl]benzamide is sourced from PubChem (CID 62343389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).