N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide

C18H28N2O — CID 109011766

IUPACN-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide
SMILESCC(C)c1cccc(C(C)C)c1NCCC(=O)NC1CC1
InChIInChI=1S/C18H28N2O/c1-12(2)15-6-5-7-16(13(3)4)18(15)19-11-10-17(21)20-14-8-9-14/h5-7,12-14,19H,8-11H2,1-4H3,(H,20,21)
InChIKeyNLBUBEALQGEEHG-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.01
Rot. Bonds7

About N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide

N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide (PubChem CID 109011766) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide
PubChem CID109011766
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide
SMILESCC(C)c1cccc(C(C)C)c1NCCC(=O)NC1CC1
InChIInChI=1S/C18H28N2O/c1-12(2)15-6-5-7-16(13(3)4)18(15)19-11-10-17(21)20-14-8-9-14/h5-7,12-14,19H,8-11H2,1-4H3,(H,20,21)
InChIKeyNLBUBEALQGEEHG-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]acetamide
CID 108993678
N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide
CID 109031466
N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide
CID 109014020
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
N-cyclopentyl-3-(2,6-diethylanilino)propanamide
CID 109013502
N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide
CID 79394248
N-cyclohexyl-3-(2,6-diethylanilino)propanamide
CID 109014023
N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109041113
3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039645
2-N-cyclopropyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130984
3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
CID 109015777
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8909425

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide?
The IUPAC name of N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide (CID 109011766) is N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide is CC(C)c1cccc(C(C)C)c1NCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide?
The InChIKey is NLBUBEALQGEEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12(2)15-6-5-7-16(13(3)4)18(15)19-11-10-17(21)20-14-8-9-14/h5-7,12-14,19H,8-11H2,1-4H3,(H,20,21).
What are the key properties of N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide?
N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide has a molecular weight of 288.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide is sourced from PubChem (CID 109011766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).