N-[3-(aminomethyl)phenyl]-4-butoxybenzamide

C18H22N2O2 — CID 24692929

IUPACN-[3-(aminomethyl)phenyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(CN)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-3-11-22-17-9-7-15(8-10-17)18(21)20-16-6-4-5-14(12-16)13-19/h4-10,12H,2-3,11,13,19H2,1H3,(H,20,21)
InChIKeyVFBWNXHTBINOCH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.58
Rot. Bonds7

About N-[3-(aminomethyl)phenyl]-4-butoxybenzamide

N-[3-(aminomethyl)phenyl]-4-butoxybenzamide (PubChem CID 24692929) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-butoxybenzamide
PubChem CID24692929
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[3-(aminomethyl)phenyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(CN)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-3-11-22-17-9-7-15(8-10-17)18(21)20-16-6-4-5-14(12-16)13-19/h4-10,12H,2-3,11,13,19H2,1H3,(H,20,21)
InChIKeyVFBWNXHTBINOCH-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.58
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-[3-(methylsulfonylmethyl)phenyl]-4-pentoxybenzamide
CID 60605378
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
CID 38810181
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide
CID 43912146
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-butoxybenzamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-butoxybenzamide (CID 24692929) is N-[3-(aminomethyl)phenyl]-4-butoxybenzamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-butoxybenzamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)Nc2cccc(CN)c2)cc1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-butoxybenzamide?
The InChIKey is VFBWNXHTBINOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-3-11-22-17-9-7-15(8-10-17)18(21)20-16-6-4-5-14(12-16)13-19/h4-10,12H,2-3,11,13,19H2,1H3,(H,20,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-butoxybenzamide?
N-[3-(aminomethyl)phenyl]-4-butoxybenzamide has a molecular weight of 298.39 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-butoxybenzamide is sourced from PubChem (CID 24692929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).