4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide

C15H25N3O2 — CID 63053276

IUPAC4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide
SMILESCCCNC(CCN(C)c1ccccc1OC)C(N)=O
InChIInChI=1S/C15H25N3O2/c1-4-10-17-12(15(16)19)9-11-18(2)13-7-5-6-8-14(13)20-3/h5-8,12,17H,4,9-11H2,1-3H3,(H2,16,19)
InChIKeyBDEVMACCXHBHBH-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.38
Rot. Bonds9

About 4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide

4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide (PubChem CID 63053276) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide
PubChem CID63053276
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide
SMILESCCCNC(CCN(C)c1ccccc1OC)C(N)=O
InChIInChI=1S/C15H25N3O2/c1-4-10-17-12(15(16)19)9-11-18(2)13-7-5-6-8-14(13)20-3/h5-8,12,17H,4,9-11H2,1-3H3,(H2,16,19)
InChIKeyBDEVMACCXHBHBH-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63053805
4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid
CID 63053456
ethyl 4-(2-fluoro-N-methylanilino)-2-(propylamino)butanoate
CID 63053989
1-N-(2-methoxyphenyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62041445
2-methoxy-N-methyl-N-propylaniline
CID 23198488
ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
CID 63041590
4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide
CID 63652935
methyl 4-(N-ethyl-2-methylanilino)-2-(propylamino)butanoate
CID 63030284
4-(dipropylamino)-2-(propylamino)butanamide
CID 63028004
4-(diethylamino)-2-(propylamino)butanamide
CID 63028178
4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide
CID 63054940
4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
CID 63054736

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide?
The IUPAC name of 4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide (CID 63053276) is 4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide?
The canonical SMILES for 4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide is CCCNC(CCN(C)c1ccccc1OC)C(N)=O.
What is the InChIKey of 4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide?
The InChIKey is BDEVMACCXHBHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-10-17-12(15(16)19)9-11-18(2)13-7-5-6-8-14(13)20-3/h5-8,12,17H,4,9-11H2,1-3H3,(H2,16,19).
What are the key properties of 4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide?
4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide has a molecular weight of 279.38 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide is sourced from PubChem (CID 63053276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).