N-(4-aminobutyl)-3-methoxy-4-methylbenzamide

C13H20N2O2 — CID 60893959

IUPACN-(4-aminobutyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCCCN)ccc1C
InChIInChI=1S/C13H20N2O2/c1-10-5-6-11(9-12(10)17-2)13(16)15-8-4-3-7-14/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyKEKYKCAIUSZZFJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.47
Rot. Bonds6

About N-(4-aminobutyl)-3-methoxy-4-methylbenzamide

N-(4-aminobutyl)-3-methoxy-4-methylbenzamide (PubChem CID 60893959) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(4-aminobutyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-3-methoxy-4-methylbenzamide
PubChem CID60893959
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(4-aminobutyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCCCN)ccc1C
InChIInChI=1S/C13H20N2O2/c1-10-5-6-11(9-12(10)17-2)13(16)15-8-4-3-7-14/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyKEKYKCAIUSZZFJ-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.47
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

N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
N-hex-5-ynyl-3-methoxy-4-methylbenzamide
CID 103757934
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 115628304
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
CID 118791993

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(4-aminobutyl)-3-methoxy-4-methylbenzamide (CID 60893959) is N-(4-aminobutyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(4-aminobutyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(4-aminobutyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCCCCN)ccc1C.
What is the InChIKey of N-(4-aminobutyl)-3-methoxy-4-methylbenzamide?
The InChIKey is KEKYKCAIUSZZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-5-6-11(9-12(10)17-2)13(16)15-8-4-3-7-14/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-aminobutyl)-3-methoxy-4-methylbenzamide?
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 60893959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).