N-(2-methylpropyl)-2-(4-pentylanilino)propanamide

C18H30N2O — CID 112798556

IUPACN-(2-methylpropyl)-2-(4-pentylanilino)propanamide
SMILESCCCCCc1ccc(NC(C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-5-6-7-8-16-9-11-17(12-10-16)20-15(4)18(21)19-13-14(2)3/h9-12,14-15,20H,5-8,13H2,1-4H3,(H,19,21)
InChIKeyGPYUYSSVCWMUCR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.99
Rot. Bonds9

About N-(2-methylpropyl)-2-(4-pentylanilino)propanamide

N-(2-methylpropyl)-2-(4-pentylanilino)propanamide (PubChem CID 112798556) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-pentylanilino)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-pentylanilino)propanamide
PubChem CID112798556
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(2-methylpropyl)-2-(4-pentylanilino)propanamide
SMILESCCCCCc1ccc(NC(C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-5-6-7-8-16-9-11-17(12-10-16)20-15(4)18(21)19-13-14(2)3/h9-12,14-15,20H,5-8,13H2,1-4H3,(H,19,21)
InChIKeyGPYUYSSVCWMUCR-UHFFFAOYSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
3-(4-butylanilino)butan-2-one
CID 102224780
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925
N-heptan-4-yl-4-pentylaniline
CID 63421629
3-amino-2-methyl-N-(4-pentylphenyl)propanamide
CID 62670377
N-(3-methylpentan-2-yl)-4-pentylaniline
CID 43103147
[(4-heptylanilino)-phosphonomethyl]phosphonic acid
CID 5277463
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276
2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
CID 113219253
ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
CID 60542297
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-pentylanilino)propanamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-pentylanilino)propanamide (CID 112798556) is N-(2-methylpropyl)-2-(4-pentylanilino)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-pentylanilino)propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-pentylanilino)propanamide is CCCCCc1ccc(NC(C)C(=O)NCC(C)C)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-pentylanilino)propanamide?
The InChIKey is GPYUYSSVCWMUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-6-7-8-16-9-11-17(12-10-16)20-15(4)18(21)19-13-14(2)3/h9-12,14-15,20H,5-8,13H2,1-4H3,(H,19,21).
What are the key properties of N-(2-methylpropyl)-2-(4-pentylanilino)propanamide?
N-(2-methylpropyl)-2-(4-pentylanilino)propanamide has a molecular weight of 290.45 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-pentylanilino)propanamide is sourced from PubChem (CID 112798556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).