N-[4-(propan-2-ylamino)phenyl]propanamide

C12H18N2O — CID 43720685

IUPACN-[4-(propan-2-ylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-4-12(15)14-11-7-5-10(6-8-11)13-9(2)3/h5-9,13H,4H2,1-3H3,(H,14,15)
InChIKeyWZEVZDBHUJWULN-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.86
Rot. Bonds4

About N-[4-(propan-2-ylamino)phenyl]propanamide

N-[4-(propan-2-ylamino)phenyl]propanamide (PubChem CID 43720685) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[4-(propan-2-ylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylamino)phenyl]propanamide
PubChem CID43720685
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[4-(propan-2-ylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-4-12(15)14-11-7-5-10(6-8-11)13-9(2)3/h5-9,13H,4H2,1-3H3,(H,14,15)
InChIKeyWZEVZDBHUJWULN-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
CID 43720632
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
N-[4-(2-aminopropanoyl)phenyl]propanamide
CID 82341614
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
CID 47065348
N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633
N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide
CID 82315401
4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
CID 110178310
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide
CID 43786026

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylamino)phenyl]propanamide?
The IUPAC name of N-[4-(propan-2-ylamino)phenyl]propanamide (CID 43720685) is N-[4-(propan-2-ylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-(propan-2-ylamino)phenyl]propanamide?
The canonical SMILES for N-[4-(propan-2-ylamino)phenyl]propanamide is CCC(=O)Nc1ccc(NC(C)C)cc1.
What is the InChIKey of N-[4-(propan-2-ylamino)phenyl]propanamide?
The InChIKey is WZEVZDBHUJWULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-12(15)14-11-7-5-10(6-8-11)13-9(2)3/h5-9,13H,4H2,1-3H3,(H,14,15).
What are the key properties of N-[4-(propan-2-ylamino)phenyl]propanamide?
N-[4-(propan-2-ylamino)phenyl]propanamide has a molecular weight of 206.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylamino)phenyl]propanamide is sourced from PubChem (CID 43720685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).