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

C16H26N2O — CID 55105659

IUPAC3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C16H26N2O/c1-10(2)13-6-7-15(14(8-13)11(3)4)18-16(19)12(5)9-17/h6-8,10-12H,9,17H2,1-5H3,(H,18,19)
InChIKeyIQYJNSUAMGOJDD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.47
Rot. Bonds5

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

3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide (PubChem CID 55105659) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
PubChem CID55105659
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C16H26N2O/c1-10(2)13-6-7-15(14(8-13)11(3)4)18-16(19)12(5)9-17/h6-8,10-12H,9,17H2,1-5H3,(H,18,19)
InChIKeyIQYJNSUAMGOJDD-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.47
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-methoxypropanamide
CID 106111576
(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride
CID 119288317
N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852532
3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide
CID 115452440
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
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
3-[[2,4-di(propan-2-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075662
3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
CID 62670664
5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide
CID 43698416
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide (CID 55105659) is 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide is CC(CN)C(=O)Nc1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is IQYJNSUAMGOJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10(2)13-6-7-15(14(8-13)11(3)4)18-16(19)12(5)9-17/h6-8,10-12H,9,17H2,1-5H3,(H,18,19).
What are the key properties of 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide?
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 55105659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).