N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide

C18H30N2O2 — CID 119569818

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
SMILESCCC(CC)(CN)NC(=O)CCCCOc1cccc(C)c1
InChIInChI=1S/C18H30N2O2/c1-4-18(5-2,14-19)20-17(21)11-6-7-12-22-16-10-8-9-15(3)13-16/h8-10,13H,4-7,11-12,14,19H2,1-3H3,(H,20,21)
InChIKeyIGJAMABQPKSZQR-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.18
Rot. Bonds10

About N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide

N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide (PubChem CID 119569818) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
PubChem CID119569818
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
SMILESCCC(CC)(CN)NC(=O)CCCCOc1cccc(C)c1
InChIInChI=1S/C18H30N2O2/c1-4-18(5-2,14-19)20-17(21)11-6-7-12-22-16-10-8-9-15(3)13-16/h8-10,13H,4-7,11-12,14,19H2,1-3H3,(H,20,21)
InChIKeyIGJAMABQPKSZQR-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.18
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-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119568938
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide
CID 119598722
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride
CID 119569106
5-(3-methylphenoxy)-N-prop-2-ynylpentanamide
CID 60584237
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide
CID 63765536
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide (CID 119569818) is N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide is CCC(CC)(CN)NC(=O)CCCCOc1cccc(C)c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide?
The InChIKey is IGJAMABQPKSZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-18(5-2,14-19)20-17(21)11-6-7-12-22-16-10-8-9-15(3)13-16/h8-10,13H,4-7,11-12,14,19H2,1-3H3,(H,20,21).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide?
N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide has a molecular weight of 306.45 g/mol, XLogP of 3.18, 10 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]-5-(3-methylphenoxy)pentanamide is sourced from PubChem (CID 119569818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).