N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide

C14H22N2O2 — CID 114150708

IUPACN-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)NC(CCN)COC
InChIInChI=1S/C14H22N2O2/c1-3-11-6-4-5-7-13(11)14(17)16-12(8-9-15)10-18-2/h4-7,12H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyQHMJNGQQIPJTBT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.34
Rot. Bonds7

About N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide

N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide (PubChem CID 114150708) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
PubChem CID114150708
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)NC(CCN)COC
InChIInChI=1S/C14H22N2O2/c1-3-11-6-4-5-7-13(11)14(17)16-12(8-9-15)10-18-2/h4-7,12H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyQHMJNGQQIPJTBT-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 106152498
N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide
CID 106152130
N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 106152482
N-(4-amino-1-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106152676
N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 114150752
methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
CID 124596647
N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106180175
N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 106152616
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
CID 106152679
1-(4-amino-1-methoxybutan-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 106153716
N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106180025

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide (CID 114150708) is N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide is CCc1ccccc1C(=O)NC(CCN)COC.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide?
The InChIKey is QHMJNGQQIPJTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11-6-4-5-7-13(11)14(17)16-12(8-9-15)10-18-2/h4-7,12H,3,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide?
N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide is sourced from PubChem (CID 114150708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).