N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide

C15H24N2O2 — CID 119571027

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NC(CC)(CC)CN)c1
InChIInChI=1S/C15H24N2O2/c1-4-15(5-2,11-16)17-14(18)12-8-7-9-13(10-12)19-6-3/h7-10H,4-6,11,16H2,1-3H3,(H,17,18)
InChIKeyDMCORIHBCJMAHR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.33
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide

N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide (PubChem CID 119571027) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
PubChem CID119571027
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NC(CC)(CC)CN)c1
InChIInChI=1S/C15H24N2O2/c1-4-15(5-2,11-16)17-14(18)12-8-7-9-13(10-12)19-6-3/h7-10H,4-6,11,16H2,1-3H3,(H,17,18)
InChIKeyDMCORIHBCJMAHR-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide
CID 63765536
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069
N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119569679
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119570933
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide
CID 107866608
2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid
CID 119192325
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
CID 119407722
3-(difluoromethoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 103602179
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide (CID 119571027) is N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide is CCOc1cccc(C(=O)NC(CC)(CC)CN)c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide?
The InChIKey is DMCORIHBCJMAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-15(5-2,11-16)17-14(18)12-8-7-9-13(10-12)19-6-3/h7-10H,4-6,11,16H2,1-3H3,(H,17,18).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide?
N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide is sourced from PubChem (CID 119571027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).