N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide

C16H26N2O2 — CID 63767069

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
SMILESCCC(CC)(CN)NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-16(6-2,11-17)18-15(19)13-8-7-9-14(10-13)20-12(3)4/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19)
InChIKeySKIFJHGSIQUWBS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.72
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide

N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide (PubChem CID 63767069) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
PubChem CID63767069
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
SMILESCCC(CC)(CN)NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-16(6-2,11-17)18-15(19)13-8-7-9-14(10-13)20-12(3)4/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19)
InChIKeySKIFJHGSIQUWBS-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide
CID 107866608
N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027
N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide
CID 63765536
N-(3-carbamothioylpentan-3-yl)-3-propan-2-yloxybenzamide
CID 62920330
3-(difluoromethoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 103602179
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
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
N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119571882
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
N-[3-(chloromethyl)pentan-3-yl]-4-propan-2-yloxybenzamide
CID 114304633
N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
CID 66090435

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide (CID 63767069) is N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide is CCC(CC)(CN)NC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide?
The InChIKey is SKIFJHGSIQUWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-16(6-2,11-17)18-15(19)13-8-7-9-14(10-13)20-12(3)4/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide?
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide has a molecular weight of 278.40 g/mol, XLogP of 2.72, 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-propan-2-yloxybenzamide is sourced from PubChem (CID 63767069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).