N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide

C18H30N2O — CID 62852532

IUPACN-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H30N2O/c1-7-19-11-14(6)18(21)20-17-9-8-15(12(2)3)10-16(17)13(4)5/h8-10,12-14,19H,7,11H2,1-6H3,(H,20,21)
InChIKeyZQYBNVAHGVBYRP-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.12
Rot. Bonds7

About N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide

N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide (PubChem CID 62852532) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
PubChem CID62852532
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H30N2O/c1-7-19-11-14(6)18(21)20-17-9-8-15(12(2)3)10-16(17)13(4)5/h8-10,12-14,19H,7,11H2,1-6H3,(H,20,21)
InChIKeyZQYBNVAHGVBYRP-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
CID 55105659
(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride
CID 119288317
3-(ethylamino)-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838572
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide
CID 106111576
3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
3-(ethylamino)-2-methyl-N-(2-methylphenyl)propanamide
CID 45097653
3-chloro-N-[2,4-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 63680547
2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 116675423
2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide
CID 60866035
3-[[2,4-di(propan-2-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075662
3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 62853982
5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide
CID 43698416

Frequently Asked Questions

What is the IUPAC name of N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide (CID 62852532) is N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)Nc1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide?
The InChIKey is ZQYBNVAHGVBYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-7-19-11-14(6)18(21)20-17-9-8-15(12(2)3)10-16(17)13(4)5/h8-10,12-14,19H,7,11H2,1-6H3,(H,20,21).
What are the key properties of N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide?
N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide has a molecular weight of 290.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62852532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).