4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide

C16H27N3O2 — CID 103155573

IUPAC4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
SMILESCCN(c1ccc(NC(=O)CC(CN)OC)cc1)C(C)C
InChIInChI=1S/C16H27N3O2/c1-5-19(12(2)3)14-8-6-13(7-9-14)18-16(20)10-15(11-17)21-4/h6-9,12,15H,5,10-11,17H2,1-4H3,(H,18,20)
InChIKeyGZVNRIZCYWPCNY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.22
Rot. Bonds8

About 4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide

4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide (PubChem CID 103155573) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
PubChem CID103155573
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
SMILESCCN(c1ccc(NC(=O)CC(CN)OC)cc1)C(C)C
InChIInChI=1S/C16H27N3O2/c1-5-19(12(2)3)14-8-6-13(7-9-14)18-16(20)10-15(11-17)21-4/h6-9,12,15H,5,10-11,17H2,1-4H3,(H,18,20)
InChIKeyGZVNRIZCYWPCNY-UHFFFAOYSA-N
XLogP2.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
CID 51088000
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide
CID 120592672
4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 120587040
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
CID 43399748

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide (CID 103155573) is 4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide is CCN(c1ccc(NC(=O)CC(CN)OC)cc1)C(C)C.
What is the InChIKey of 4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide?
The InChIKey is GZVNRIZCYWPCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-19(12(2)3)14-8-6-13(7-9-14)18-16(20)10-15(11-17)21-4/h6-9,12,15H,5,10-11,17H2,1-4H3,(H,18,20).
What are the key properties of 4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide?
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide has a molecular weight of 293.41 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide is sourced from PubChem (CID 103155573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).