N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide

C18H30N2O — CID 109011721

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H30N2O/c1-12(2)15-8-7-9-16(13(3)4)18(15)20-17(21)10-11-19-14(5)6/h7-9,12-14,19H,10-11H2,1-6H3,(H,20,21)
InChIKeyYIFZUWBCIFZKHG-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.26
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide

N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide (PubChem CID 109011721) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
PubChem CID109011721
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H30N2O/c1-12(2)15-8-7-9-16(13(3)4)18(15)20-17(21)10-11-19-14(5)6/h7-9,12-14,19H,10-11H2,1-6H3,(H,20,21)
InChIKeyYIFZUWBCIFZKHG-UHFFFAOYSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
3-(4-chloroanilino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 139806981
6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide
CID 22633579
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021297
N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 130299737
N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432461
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 17497186
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022544
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113117613
N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
CID 108951516

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide (CID 109011721) is N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is YIFZUWBCIFZKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-12(2)15-8-7-9-16(13(3)4)18(15)20-17(21)10-11-19-14(5)6/h7-9,12-14,19H,10-11H2,1-6H3,(H,20,21).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide?
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 290.45 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 109011721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).