4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide

C15H25N3O2 — CID 63054512

IUPAC4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
SMILESCOc1cccc(N(C)CCC(NC(C)C)C(N)=O)c1
InChIInChI=1S/C15H25N3O2/c1-11(2)17-14(15(16)19)8-9-18(3)12-6-5-7-13(10-12)20-4/h5-7,10-11,14,17H,8-9H2,1-4H3,(H2,16,19)
InChIKeyHLVIOIAZKITNNW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.37
Rot. Bonds8

About 4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide

4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide (PubChem CID 63054512) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
PubChem CID63054512
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
SMILESCOc1cccc(N(C)CCC(NC(C)C)C(N)=O)c1
InChIInChI=1S/C15H25N3O2/c1-11(2)17-14(15(16)19)8-9-18(3)12-6-5-7-13(10-12)20-4/h5-7,10-11,14,17H,8-9H2,1-4H3,(H2,16,19)
InChIKeyHLVIOIAZKITNNW-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63055038
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
methyl 4-(N,3-dimethylanilino)-2-(propan-2-ylamino)butanoate
CID 63053650
methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate
CID 63029737
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
CID 63053993
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
methyl 2-amino-4-(N,3-dimethylanilino)butanoate
CID 63053473
1-(3-methoxyphenyl)-1-propan-2-ylurea
CID 3032131
1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454499
1-[2-(3-methoxy-N-methylanilino)ethyl]triazole-4-carbohydrazide
CID 63584328

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide (CID 63054512) is 4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide is COc1cccc(N(C)CCC(NC(C)C)C(N)=O)c1.
What is the InChIKey of 4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide?
The InChIKey is HLVIOIAZKITNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)17-14(15(16)19)8-9-18(3)12-6-5-7-13(10-12)20-4/h5-7,10-11,14,17H,8-9H2,1-4H3,(H2,16,19).
What are the key properties of 4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide?
4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide has a molecular weight of 279.38 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63054512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).