3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide

C14H20N2O2 — CID 115928738

IUPAC3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(C)CC1CC1
InChIInChI=1S/C14H20N2O2/c1-9(7-10-3-4-10)16-12-8-11(14(15)17)5-6-13(12)18-2/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,15,17)
InChIKeyOVVMTPZLCVPINJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.39
Rot. Bonds6

About 3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide

3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide (PubChem CID 115928738) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide
PubChem CID115928738
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(C)CC1CC1
InChIInChI=1S/C14H20N2O2/c1-9(7-10-3-4-10)16-12-8-11(14(15)17)5-6-13(12)18-2/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,15,17)
InChIKeyOVVMTPZLCVPINJ-UHFFFAOYSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide
CID 63990338
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
CID 115928740
4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide
CID 115928742
2-(5-carbamoyl-2-methoxyanilino)propanoic acid
CID 66174329
3-(butan-2-ylamino)-4-methoxybenzoic acid
CID 63742955
3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide
CID 43735274
N-(1-cyclopropylpropan-2-yl)-5-methoxy-2-methylpyridin-4-amine
CID 106660524
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
4-methoxy-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659783
3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide
CID 43735355

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide?
The IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide (CID 115928738) is 3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide.
What is the SMILES notation for 3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide?
The canonical SMILES for 3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC(C)CC1CC1.
What is the InChIKey of 3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide?
The InChIKey is OVVMTPZLCVPINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(7-10-3-4-10)16-12-8-11(14(15)17)5-6-13(12)18-2/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,15,17).
What are the key properties of 3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide?
3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide is sourced from PubChem (CID 115928738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).