N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide

C17H25N3O3 — CID 54815821

IUPACN-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNCC2CCCO2)c1
InChIInChI=1S/C17H25N3O3/c1-2-5-16(21)19-13-6-3-7-14(10-13)20-17(22)12-18-11-15-8-4-9-23-15/h3,6-7,10,15,18H,2,4-5,8-9,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyOIOXOOUWPNPXBG-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.13
Rot. Bonds8

About N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide

N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide (PubChem CID 54815821) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
PubChem CID54815821
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNCC2CCCO2)c1
InChIInChI=1S/C17H25N3O3/c1-2-5-16(21)19-13-6-3-7-14(10-13)20-17(22)12-18-11-15-8-4-9-23-15/h3,6-7,10,15,18H,2,4-5,8-9,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyOIOXOOUWPNPXBG-UHFFFAOYSA-N
XLogP2.13
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 54815323
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815604
N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815502
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54830953
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 108994315
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 119673692
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide (CID 54815821) is N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)CNCC2CCCO2)c1.
What is the InChIKey of N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide?
The InChIKey is OIOXOOUWPNPXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-5-16(21)19-13-6-3-7-14(10-13)20-17(22)12-18-11-15-8-4-9-23-15/h3,6-7,10,15,18H,2,4-5,8-9,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide?
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide has a molecular weight of 319.41 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54815821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).