N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide

C18H30N2O — CID 119406266

IUPACN-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide
SMILESCC(C)(C)c1ccc(CCCCC(=O)NCCCN)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,3)16-11-9-15(10-12-16)7-4-5-8-17(21)20-14-6-13-19/h9-12H,4-8,13-14,19H2,1-3H3,(H,20,21)
InChIKeyYMWZKWCXUVIVLW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.16
Rot. Bonds8

About N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide

N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide (PubChem CID 119406266) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide
PubChem CID119406266
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide
SMILESCC(C)(C)c1ccc(CCCCC(=O)NCCCN)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,3)16-11-9-15(10-12-16)7-4-5-8-17(21)20-14-6-13-19/h9-12H,4-8,13-14,19H2,1-3H3,(H,20,21)
InChIKeyYMWZKWCXUVIVLW-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.16
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

7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715
5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride
CID 119501450
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110307736
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
CID 56967020
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 56967019
N-[3-[4-[(4-tert-butylphenyl)methylamino]butylamino]propyl]-N'-hydroxynonanediamide;dihydrobromide
CID 24854578
4-(4-tert-butylphenyl)butanamide
CID 20619639
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013
6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
CID 65290908
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide?
The IUPAC name of N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide (CID 119406266) is N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide.
What is the SMILES notation for N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide?
The canonical SMILES for N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide is CC(C)(C)c1ccc(CCCCC(=O)NCCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide?
The InChIKey is YMWZKWCXUVIVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)16-11-9-15(10-12-16)7-4-5-8-17(21)20-14-6-13-19/h9-12H,4-8,13-14,19H2,1-3H3,(H,20,21).
What are the key properties of N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide?
N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide has a molecular weight of 290.45 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide is sourced from PubChem (CID 119406266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).