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

C17H27N3O3 — CID 120592672

IUPACN-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1
InChIInChI=1S/C17H27N3O3/c1-12(2)20(13(3)21)11-14-5-7-15(8-6-14)19-17(22)9-16(10-18)23-4/h5-8,12,16H,9-11,18H2,1-4H3,(H,19,22)
InChIKeyVDTCVMBXPGBYAH-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.75
Rot. Bonds8

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

N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide (PubChem CID 120592672) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide.

Molecular Properties

Compound NameN-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide
PubChem CID120592672
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1
InChIInChI=1S/C17H27N3O3/c1-12(2)20(13(3)21)11-14-5-7-15(8-6-14)19-17(22)9-16(10-18)23-4/h5-8,12,16H,9-11,18H2,1-4H3,(H,19,22)
InChIKeyVDTCVMBXPGBYAH-UHFFFAOYSA-N
XLogP1.75
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 120587040
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide
CID 167920354
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
(2S)-N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-2-amino-4-methylpentanamide
CID 119792493
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]-3-methoxybutanamide
CID 120596131
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597

Frequently Asked Questions

What is the IUPAC name of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide?
The IUPAC name of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide (CID 120592672) is N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide.
What is the SMILES notation for N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide?
The canonical SMILES for N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide is COC(CN)CC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1.
What is the InChIKey of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide?
The InChIKey is VDTCVMBXPGBYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)20(13(3)21)11-14-5-7-15(8-6-14)19-17(22)9-16(10-18)23-4/h5-8,12,16H,9-11,18H2,1-4H3,(H,19,22).
What are the key properties of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide?
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide has a molecular weight of 321.42 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide is sourced from PubChem (CID 120592672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).