3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide

C14H22N2O2 — CID 39353469

IUPAC3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide
SMILESCc1cc(OCC(C)C)ccc1NC(=O)CCN
InChIInChI=1S/C14H22N2O2/c1-10(2)9-18-12-4-5-13(11(3)8-12)16-14(17)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyLQVABKRFRYRCLM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.32
Rot. Bonds6

About 3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide

3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide (PubChem CID 39353469) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide
PubChem CID39353469
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide
SMILESCc1cc(OCC(C)C)ccc1NC(=O)CCN
InChIInChI=1S/C14H22N2O2/c1-10(2)9-18-12-4-5-13(11(3)8-12)16-14(17)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyLQVABKRFRYRCLM-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 60926923
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
CID 120560339
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide?
The IUPAC name of 3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide (CID 39353469) is 3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide is Cc1cc(OCC(C)C)ccc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide?
The InChIKey is LQVABKRFRYRCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)9-18-12-4-5-13(11(3)8-12)16-14(17)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide?
3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide is sourced from PubChem (CID 39353469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).