N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide

C18H28N2O2 — CID 156571825

IUPACN-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)Cc1cccc(CC(=O)NC(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-5-7-17(21)20-14(4)10-15-8-6-9-16(11-15)12-18(22)19-13(2)3/h6,8-9,11,13-14H,5,7,10,12H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyQPINADUJOLYOFV-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.60
Rot. Bonds8

About N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide

N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide (PubChem CID 156571825) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide
PubChem CID156571825
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)Cc1cccc(CC(=O)NC(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-5-7-17(21)20-14(4)10-15-8-6-9-16(11-15)12-18(22)19-13(2)3/h6,8-9,11,13-14H,5,7,10,12H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyQPINADUJOLYOFV-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
ethane;N-propan-2-ylbutanamide
CID 169175258
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 60843071
3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
CID 62628251
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide
CID 84590677

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide?
The IUPAC name of N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide (CID 156571825) is N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide.
What is the SMILES notation for N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide?
The canonical SMILES for N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide is CCCC(=O)NC(C)Cc1cccc(CC(=O)NC(C)C)c1.
What is the InChIKey of N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide?
The InChIKey is QPINADUJOLYOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-7-17(21)20-14(4)10-15-8-6-9-16(11-15)12-18(22)19-13(2)3/h6,8-9,11,13-14H,5,7,10,12H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide?
N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide has a molecular weight of 304.43 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide is sourced from PubChem (CID 156571825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).