4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide

C18H20N2O2 — CID 119325256

IUPAC4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C18H20N2O2/c19-11-13-3-5-15(6-4-13)18(21)20-16-7-9-17(10-8-16)22-12-14-1-2-14/h3-10,14H,1-2,11-12,19H2,(H,20,21)
InChIKeyAKQVJLGSMXZFII-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.19
Rot. Bonds6

About 4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide

4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide (PubChem CID 119325256) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
PubChem CID119325256
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C18H20N2O2/c19-11-13-3-5-15(6-4-13)18(21)20-16-7-9-17(10-8-16)22-12-14-1-2-14/h3-10,14H,1-2,11-12,19H2,(H,20,21)
InChIKeyAKQVJLGSMXZFII-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278
4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide
CID 58111737
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
4-(aminomethyl)-N-[4-(cyclopentyloxymethyl)phenyl]benzamide
CID 119330109
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-(cyclopropylmethoxy)-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]benzamide
CID 129168486
2-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 119786465
4-(cyclopropylmethoxy)-N-[4-(dimethylamino)-3-methylphenyl]benzamide
CID 60571631
4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride
CID 119323634
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide (CID 119325256) is 4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide is NCc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide?
The InChIKey is AKQVJLGSMXZFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-11-13-3-5-15(6-4-13)18(21)20-16-7-9-17(10-8-16)22-12-14-1-2-14/h3-10,14H,1-2,11-12,19H2,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide?
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide is sourced from PubChem (CID 119325256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).