7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide

C19H32N2O — CID 119706715

IUPAC7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
SMILESCC(C)(C)c1ccc(CCNC(=O)CCCCCCN)cc1
InChIInChI=1S/C19H32N2O/c1-19(2,3)17-11-9-16(10-12-17)13-15-21-18(22)8-6-4-5-7-14-20/h9-12H,4-8,13-15,20H2,1-3H3,(H,21,22)
InChIKeyBMMFZFSJBKPOTE-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.55
Rot. Bonds9

About 7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide

7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide (PubChem CID 119706715) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
PubChem CID119706715
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
SMILESCC(C)(C)c1ccc(CCNC(=O)CCCCCCN)cc1
InChIInChI=1S/C19H32N2O/c1-19(2,3)17-11-9-16(10-12-17)13-15-21-18(22)8-6-4-5-7-14-20/h9-12H,4-8,13-15,20H2,1-3H3,(H,21,22)
InChIKeyBMMFZFSJBKPOTE-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.55
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

N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide
CID 119406266
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
CID 56967020
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 56967019
5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride
CID 119501450
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide
CID 87037217
7-amino-N-(2-thiophen-3-ylethyl)heptanamide
CID 54953945
7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
CID 119732863
7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride
CID 119788188
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
CID 115158005
6-amino-N-[2-(4-hydroxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 65292067

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide (CID 119706715) is 7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide is CC(C)(C)c1ccc(CCNC(=O)CCCCCCN)cc1.
What is the InChIKey of 7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide?
The InChIKey is BMMFZFSJBKPOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-19(2,3)17-11-9-16(10-12-17)13-15-21-18(22)8-6-4-5-7-14-20/h9-12H,4-8,13-15,20H2,1-3H3,(H,21,22).
What are the key properties of 7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide?
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide has a molecular weight of 304.48 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide is sourced from PubChem (CID 119706715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).